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| CAS Number | 104-98-3 |
| Catalog Number | AG003HZB(AGN-PC-0NVYHT) |
| Chemical Name | Urocanic acid |
| EC Number | 203-258-4 |
| IUPAC Name | (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid |
| InChI | InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+ |
| InChI Key | LOIYMIARKYCTBW-OWOJBTEDSA-N |
| MDL Number | MFCD00149316 |
| Molecular Formula | C6H6N2O2 |
| Molecular Weight | 138.1240 |
| SMILES | OC(=O)C=CC1=CNC=N1 |
| UNII | G8D26XJJ3B |
| Synonyms | Acid, Glyoxalinylacrylic,
Acid, Urocanic,
Glyoxalinylacrylic Acid,
Urocanic Acid,
urocanic acid,
4-imidazoleacrylic acid,
trans-Urocanic acid,
104-98-3,
Urocaninic acid,
imidazoleacrylic acid,
3465-72-3,
5-Imidazoleacrylic acid,
urocanate,
Imidazole-4-acrylic acid,
(2E)-3-(1H-IMIDAZOL-4-YL)ACRYLIC ACID,
3-Imidazol-4-ylacrylic acid,
3-(1H-Imidazol-4-yl)-2-propenoic acid,
(2E)-3-(1H-imidazol-4-yl)prop-2-enoic acid,
UNII-G8D26XJJ3B,
(E)-3-(1H-Imidazol-4-yl)-2-propenoic acid,
2-Propenoic acid, 3-(1H-imidazol-4-yl)-,
NSC 66357,
UROCANIC ACID, CIS,
G8D26XJJ3B,
(e)-3-(1h-imidazol-4-yl)acrylic acid,
3-(4-Imidazolyl)acrylic acid,
MLS000069482,
CHEBI:30817,
LOIYMIARKYCTBW-OWOJBTEDSA-N,
2-Propenoic acid, 3-(1H-imidazol-4-yl)-, (2E)-,
(E)-3-(1H-imidazol-5-yl)acrylic acid,
3-(1H-imidazol-4-yl)prop-2-enoic acid,
SMR000059098,
Imidazole-4-propene-2-enoic acid [Urocanic acid],
4-IMIDAZOLE ACRYLIC ACID DIHYDRATE,
CCRIS 3414,
EINECS 203-258-4,
(E)-Urocanic acid,
BRN 0081405,
(2E)-3-imidazol-4-ylprop-2-enoic acid,
(E)-3-(imidazol-4-yl)propenoate,
5-Imidazoleacrylate,
zlchem 24,
MFCD00005203,
Imidazole-4-acrylate,
imidazolylpropenoicacid,
PubChem9875,
(E)-3-(1H-Imidazol-5-yl)-2-propenoic acid,
(Z)-3-(3H-imidazol-4-yl)prop-2-enoic Acid,
AC1LEIQR,
Opera_ID_26,
3-(4-Imidazolyl)acrylate,
bmse000279,
AC1Q5T9G,
AC1Q71IX,
DSSTox_CID_21148,
DSSTox_RID_79635,
DSSTox_GSID_41148,
Lopac0_001255,
SCHEMBL15417,
trans-4-imidazoleacrylic acid,
MLS001148240,
2-Propenoic acid, 3-(1H-imidazol-4-yl)-, (E)-,
4-Imidazoleacrylic acid, 99%,
AC1Q71Y1,
Jsp000483,
3-(1H-Imidazol-4-yl)acrylate,
CHEMBL1236602,
DTXSID5041148,
CHEBI:27248,
ZLB0011,
E-3-(4-imidazolyl)propenoic acid,
HMS2234N08,
HMS3263L12,
ACT02032,
ALBB-025618,
NSC66357,
(E)-3-(4-Imidazolyl)acrylic acid,
Tox21_202978,
Tox21_501255,
BBL027507,
MFCD01593677,
NSC-66357,
NSC407934,
SBB006702,
STK735136,
ZINC34633903,
(E)-3-(imidazol-4-yl)acrylic acid,
3-(3H-Imidazol-4-yl)-acrylic acid,
3-(1H-Imidazol-4-yl)-2-propenoate,
AKOS001745677,
AKOS005265082,
AKOS022488522,
(e)-3-(Imidazol-4-yl)propenoic acid,
CCG-205329,
DB01971,
HS-0075,
LP01255,
NSC-407934,
RP09780,
RTR-032578,
NCGC00094495-01,
NCGC00094495-02,
NCGC00094495-03,
NCGC00260524-01,
NCGC00261940-01,
CAS-104-98-3,
CJ-18538,
LS-78025,
SC-00208,
ST085933,
3-(1H-Imidazol-5-yl)-2-Propenoic acid,
3-Azonia-1H-imidazole-5-acrylic acidanion,
HY-113008,
TR-032578,
CS-0059340,
EU-0101255,
I0002,
R1116,
(E)-3-(1H-imidazol-4-yl)prop-2-enoic acid,
(E)-3-(1H-imidazol-5-yl)prop-2-enoic acid,
3-(1H-Imidazol-4-yl)-(E)-2-Propenoic acid,
C00785,
U 7500,
(2E)-3-(1H-imidazol-5-yl)prop-2-enoic acid,
(2E)-3-(3H-imidazol-4-yl)prop-2-enoic acid,
SR-01000076189,
I04-0134,
SR-01000076189-1,
W-108797,
23A7DA77-EC02-46B9-AA22-514C2B2A62E9,
3-(1h-imidazol-4-yl)-2-propenoicaci ;3-(1h-imidazol-4-yl)-2-propenoicacid,
cis-Urocanic acid,
trans-urocanate,
ProtoCure,
Acid, Urocanic,
-3- propenoicacid,
Glyoxalinylacrylic Acid,
Acid, Glyoxalinylacrylic,
3-imidazol-4-ylacrylsyre,
D04CQV,
3-(1H-imidazol-4-yl)acrylic acid,
(Z)-Imidazole-4-acrylic acid,
C6H6N2O2,
3- imidazol- 4- ylacrylic acid,
C6-H6-N2-O2,
AR-1E5184,
CID736715,
(2E)-3-(1H-Imidazole-4-yl)propenoic acid,
2-Propenoic acid, 3-(1H-imidazol-5-yl)-,
A13624,
4-25-00-00786 (Beilstein Handbook Reference),
D014560,
ProtoCure (emulsion, atopic dermatitis), Biocis Pharma,
ProtoCure (emulsion, atopic dermatitis/psoriasis), Laurantis,
Anti-inflammatory (topical emulsion, dermatological disease), BioCis,
Cis-UCA (topical emulsion, atopic dermatitis/psoriasis), Laurantis,
ProtoCure (emulsion, atopic dermatitis/psoriasis), Biocis Pharma,
7699-35-6,
Cis-UCA (topical emulsion, atopic dermatitis/psoriasis), BioCis Pharma,
URO,
Cis-urocanic acid (topical emulsion, atopic dermatitis/psoriasis), BioCis Pharma,
10557-55-8,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 138.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.126g/mol |
| Monoisotopic Mass | 138.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302-H315-H319-H335 |
| Packing Group | |
| Precautionary statements | P261-P305+P351+P338 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
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