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| CAS Number | 13593-94-7 |
| Catalog Number | AG00728I(AGN-PC-0JK6OU) |
| Chemical Name | 4-Oxo-1,4-dihydroquinoline-2-carboxylic acid |
| EC Number | 207-751-5 |
| IUPAC Name | 4-oxo-1H-quinoline-2-carboxylic acid |
| InChI | InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14) |
| InChI Key | HCZHHEIFKROPDY-UHFFFAOYSA-N |
| MDL Number | MFCD03197717 |
| Molecular Formula | C10H7NO3 |
| Molecular Weight | 189.1675 |
| NSC Number | 58973 |
| SMILES | O=C(C(NC1=C2C=CC=C1)=CC2=O)O |
| UNII | H030S2S85J |
| Synonyms | Acid, Kynurenic,
Kynurenate,
Kynurenic Acid,
kynurenic acid,
4-Hydroxyquinoline-2-carboxylic acid,
492-27-3,
13593-94-7,
Kynurenate,
Quinurenic acid,
4-oxo-1,4-dihydroquinoline-2-carboxylic acid,
Transtorine,
Kinurenic acid,
Kynuronic acid,
4-Hydroxy-2-quinolincarboxylic acid,
4-Hydroxyquinaldic acid,
1,4-Dihydro-4-oxoquinoline-2-carboxylic acid,
2-Quinolinecarboxylic acid, 4-hydroxy-,
4-Hydroxyquinaldinic acid,
4-Hydroxy-2-quinolinecarboxylic acid,
Quinaldic acid, 4-hydroxy-,
NSC 58973,
4-oxo-1H-quinoline-2-carboxylic acid,
UNII-H030S2S85J,
KYNA,
CCRIS 4428,
NSC58973,
EINECS 207-751-5,
2-Carboxy-4-hydroxyquinoline,
CHEMBL299155,
CHEBI:18344,
HCZHHEIFKROPDY-UHFFFAOYSA-N,
H030S2S85J,
MFCD00006753,
NSC-58973,
4-Oxo-1,4-dihydro-quinoline-2-carboxylic acid,
4-hydroxyquinoline-2-carboxylate,
SR-01000075455,
Kynurensaeure,
kynurenic-acid,
4-Hydroxyquinaldate,
KYA,
4-hydroxy-Quinaldate,
4-Hydroxyquinaldinate,
PubChem7255,
Spectrum_001116,
Tocris-0223,
AC1L1GUE,
4-hydroxy-Quinaldic acid,
Spectrum2_001342,
Spectrum3_001390,
Spectrum4_000814,
Spectrum5_001318,
Lopac-K-3375,
Quinurenic acid|Kynurenate,
Biomol-NT_000229,
bmse000410,
Kynurenic acid, >=98%,
AC1Q72XZ,
Lopac0_000716,
Oprea1_032085,
SCHEMBL22979,
BSPBio_002980,
KBioGR_001327,
KBioSS_001596,
MLS002172436,
DivK1c_000309,
SPECTRUM1500688,
SPBio_001523,
BPBio1_001350,
GTPL2918,
DTXSID8075417,
4-Hydroxy-2-chinolincarbonsaeure,
BDBM81975,
CTK0H6756,
CTK1D7115,
HCZHHEIFKROPDY-UHFFFAOYSA-,
HMS500P11,
KBio1_000309,
KBio2_001596,
KBio2_004164,
KBio2_006732,
KBio3_002200,
NINDS_000309,
4-hydroxyquinolinium-2-carboxylate,
HMS1736A10,
HMS1921C20,
HMS2269G22,
HMS3262O13,
HMS3266C13,
HMS3675C03,
4-Hydroxyquinoline-2-carboxylicacid,
ALBB-014130,
KS-00000G3H,
ZINC8584773,
Quinaldic acid, 4-hydroxy- (8CI),
Tox21_500716,
ANW-45658,
ANW-59277,
BBL027606,
CCG-39280,
CH-565,
MFCD03197717,
PDSP1_000132,
PDSP2_000131,
s4719,
SBB003671,
STL294769,
STL301826,
2-Quinolinecarboxylicacid, 4-hydroxy-,
4-Hydroxy-quinoline-2-carboxylic acid,
AKOS000118368,
AKOS000277721,
CS-W020664,
DB11937,
GS-3763,
LP00716,
MCULE-4310803796,
QC-8403,
RTR-017779,
IDI1_000309,
NSC_5280455,
SMP1_000172,
NCGC00015581-01,
NCGC00015581-02,
NCGC00015581-03,
NCGC00015581-04,
NCGC00015581-05,
NCGC00015581-06,
NCGC00015581-07,
NCGC00015581-08,
NCGC00015581-09,
NCGC00024505-01,
NCGC00024505-02,
NCGC00024505-03,
NCGC00024505-04,
NCGC00024505-05,
NCGC00024505-06,
NCGC00024505-07,
NCGC00261401-01,
AJ-72562,
AK-26023,
AN-45278,
CAS_492-27-3,
SC-20062,
SC-50442,
SMR000112310,
ST036704,
ST066912,
AB0025093,
AB0097231,
DB-008408,
DB-081634,
HY-100806,
LS-141641,
TR-035381,
B6227,
BB 0262293,
EU-0100716,
FT-0618747,
FT-0683827,
R1152,
ST24043960,
UX00002048,
W6496,
EN300-13998,
2-Quinolinecarboxylicacid, 1,4-dihydro-4-oxo-,
C01717,
K 3375,
Z-8492,
593D947,
AE-641/00585057,
I04-5756,
J-006786,
SR-01000075455-1,
SR-01000075455-3,
I14-11091,
Z94602408,
4-HYDROXQUINOLINE-2-CARBOXYLIC ACID/KYNURENIC ACID,
6F535706-B297-4930-A3FC-7A2823830118,
InChI=1/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14),
Acid, Kynurenic,
KYNURENICACID,
D01SHB,
C10H7NO3,
CID3845,
C10-H7-N-O3,
H0303,
K-8900,
2-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-,
D007736,
4-isopropylsulfonylphenylboronic acid, pinacol ester,
1000340-56-6,
1256359-13-3,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.17g/mol |
| Monoisotopic Mass | 189.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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| Precautionary statements | |
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| Chemical Structure: | CAS Registry No: | |
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