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AG0035U1
83-40-9 | 3-Methylsalicylic acid
AG0035U1
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| CAS Number | 83-40-9 |
| Catalog Number | AG0035U1(AGN-PC-0JK7QC) |
| Chemical Name | 3-Methylsalicylic acid |
| EC Number | 201-473-8 |
| IUPAC Name | 2-hydroxy-3-methylbenzoic acid |
| InChI | InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11) |
| InChI Key | WHSXTWFYRGOBGO-UHFFFAOYSA-N |
| MDL Number | MFCD00002448 |
| Molecular Formula | C8H8O3 |
| Molecular Weight | 152.1473 |
| SMILES | CC1=C(C(C(=O)O)=CC=C1)O |
| UNII | ZH3HEY032H |
| Synonyms | 3-methylsalicylic acid,
3-Methylsalicylic acid,
83-40-9,
2-Hydroxy-3-methylbenzoic acid,
Hydroxytoluic acid,
O-CRESOTIC ACID,
o-Cresotinic acid,
2-Hydroxy-m-toluic acid,
Cresotic acid,
o-Homosalicylic acid,
2,3-Cresotic acid,
2,3-Cresotinic acid,
Cresotinic acid,
Benzoic acid, 2-hydroxy-3-methyl-,
Homosalicylic acid,
3-Methyl-2-hydroxybenzoic acid,
Hydroxytoluylsaeure,
3-cresotinic acid,
3-MS,
3-Methylsalicylsaeure,
Acido hidroxitoluico,
2-Hydroxy-3-methyl-benzoic acid,
Acide hydroxytoluique,
Acido ortocresotinico,
3-Methylsalicylicacid,
Acidum hydroxitoluicum,
Acidum hydroxytoluicum,
3-Methylsalicylate,
UNII-ZH3HEY032H,
NSC 17561,
beta-Cresotinic acid,
Hydroxytoluic acid [INN:BAN],
Acido 3-ossi-5-metil-benzoico,
Acido ortocresotinico [Italian],
.beta.-Cresotinic acid,
Acide hydroxytoluique [INN-French],
Acido hidroxitoluico [INN-Spanish],
Acidum hydroxytoluicum [INN-Latin],
EINECS 201-473-8,
MFCD00002448,
BRN 2086811,
ZH3HEY032H,
Acido 3-ossi-5-metil-benzoico [Italian],
AI3-15025,
3 MS,
CHEMBL448399,
2-hydroxy-3-methyl benzoic acid,
CHEBI:20141,
WHSXTWFYRGOBGO-UHFFFAOYSA-N,
NCGC00095792-01,
DSSTox_CID_18686,
DSSTox_RID_79384,
DSSTox_GSID_38686,
3-Methylsalicylic acid, 99%,
CAS-83-40-9,
o-Kresotinsaure,
beta-cresotinate,
3-Cresotinate,
2,3-cresotinate,
2,3-cresotate,
2-hydroxy-m-toluate,
3-Metylsalicylic acid,
3-Methylsalycilic acid,
3-methylsalicyclic acid,
Spectrum_000437,
3-methyl salicylic acid,
3-methyl-salicylic acid,
SpecPlus_000905,
Spectrum2_000151,
Spectrum3_000757,
Spectrum4_000789,
Spectrum5_000741,
bmse000620,
3-methyl-2-hydroxybenzoate,
AC1Q5U3W,
ACMC-1B7I6,
2-hydroxy-3-methyl-benzoate,
Oprea1_525952,
SCHEMBL25756,
BSPBio_002374,
KBioGR_001238,
KBioSS_000917,
SPECTRUM212064,
4-10-00-00601 (Beilstein Handbook Reference),
KSC489O5F,
MLS002207190,
DivK1c_007001,
SPBio_000282,
3-Methylsalicylic acid, 97%,
AC1L1N71,
ZINC1548,
DTXSID9038686,
CTK3I9752,
KBio1_001945,
KBio2_000917,
KBio2_003485,
KBio2_006053,
KBio3_001594,
KS-00000JPW,
NSC1772,
HMS3264E18,
Pharmakon1600-00212064,
HY-B1399,
NSC-1772,
NSC17561,
NSC50796,
Tox21_111523,
ANW-37682,
BBL023681,
BDBM50275341,
CCG-38951,
FC0775,
NSC-17561,
NSC-50796,
NSC755829,
SBB040914,
STK426344,
AKOS000119923,
Tox21_111523_1,
AC-7749,
AN-8688,
CS-4909,
FS-3191,
MCULE-7890756003,
NSC-755829,
RTR-020372,
NCGC00095792-02,
NCGC00095792-03,
AJ-08045,
AK-48894,
BR-48894,
LS-55452,
SC-77386,
SMR000112084,
SBI-0052675.P002,
ST2410811,
TL8005478,
TR-020372,
AM20060736,
FT-0616181,
ST50214517,
C14088,
M-5979,
AB00053143_02,
SR-01000872738,
I01-0399,
SR-01000872738-1,
W-104146,
BRD-K75608666-001-02-6,
BRD-K75608666-001-03-4,
InChI=1/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11,
hydroxytoluylsyre-,
2-hydroxy-3-methylbenzoate,
Hydroxytoluic acid [BAN:INN],
C8H8O3,
CID6738,
C8-H8-O3,
AR-1F2817,
c0408,
3-Methylsalicylic acid, 98% - 25G 25g,
3-Methylsalicylic acid, 99% - 100G 100g,
45848-87-1,
6245-04-1,
88767-13-9,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.149g/mol |
| Monoisotopic Mass | 152.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
| Hazard Class | |
| Hazard statements | H302-H315-H319-H335 |
| Packing Group | |
| Precautionary statements | P261-P305+P351+P338 |
| Signal Words | warning |
| UN Code | \N |
Certificate of Analysis
Lot Number
Product Recommendations
CERTIFICATE OF ANALYSIS
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
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Analysis Data:
| Test: | Result: |
Conclusion: The above product meets the specifications of Angene.
Analyst:Chase
Date:
Reviewed by:Jessie
Date:
Angene International Limited