AG002MRD

23287-26-5 | Benzoic acid, 2-hydroxy-3-methyl-, methyl ester

AG002MRD

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CAS Number	23287-26-5
Catalog Number	AG002MRD(AGN-PC-0JKM59)
Chemical Name	Benzoic acid, 2-hydroxy-3-methyl-, methyl ester
EC Number	245-557-2
IUPAC Name	methyl 2-hydroxy-3-methylbenzoate
InChI	InChI=1S/C9H10O3/c1-6-4-3-5-7(8(6)10)9(11)12-2/h3-5,10H,1-2H3
InChI Key	SUHLUMKZPUMAFP-UHFFFAOYSA-N
MDL Number	MFCD00020051
Molecular Formula	C9H10O3
Molecular Weight	166.1739
NSC Number	165638
SMILES	O=C(OC)C1=CC=CC(C)=C1O
UNII	6N2H1LOP9K
Synonyms	Methyl 2-hydroxy-3-methylbenzoate, 23287-26-5, METHYL 3-METHYLSALICYLATE, Methyl o-cresotinate, Benzoic acid, 2-hydroxy-3-methyl-, methyl ester, 2-Hydroxy-3-methylbenzoic acid methyl ester, Levegal PT, 2,3-Cresotic acid, methyl ester, Methyl-3-methylsalicylate, EINECS 245-557-2, UNII-6N2H1LOP9K, NSC 165638, BRN 2413202, 6N2H1LOP9K, SUHLUMKZPUMAFP-UHFFFAOYSA-N, Methyl 2-Hydroxy-3-Methyl-Benzoate, MFCD00020051, Methyl o-cresotate, 3-methylsalicylic acid methyl ester, ACMC-20akii, PubChem16431, AC1L1MFH, AC1Q43IZ, o-cresotic acid methyl ester, 4-10-00-00602 (Beilstein Handbook Reference), SCHEMBL334485, Jsp004691, CHEMBL2260708, DTXSID1066869, CTK6J0560, ZINC166806, ALBB-023189, 3-methylsalicyclic acid methyl ester, methyl 3-methyl-2-oxidanyl-benzoate, NSC165638, SBB007735, AKOS003297656, AM80985, FR-0215, MCULE-2003601766, NSC-165638, 2,3-Cresotic acid, methyl ester (8CI), AJ-16547, LS-37622, ZB008692, TL8001935, TR-010850, FT-0616182, R1392, ST45026519, 2-hydroxy-3-methyl-benzoic acid methyl ester, Methyl ester of 2-hydroxy-3-methylbenzoic acid, A816657, W-107410, I14-102641, 2, methyl ester, Benzoic acid, methyl ester, Methyl-3-methyl salicylic acid, C9H10O3, CID31835, C9-H10-O3, ACN-040629, METHYL2-HYDROXY-3-METHYLBENZOATE,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.063g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	166.176g/mol
Monoisotopic Mass	166.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H303-H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P270-P271-P302+P352-P305+P351+P338-P362-P403+P233-P501
UN Code

Certificate of Analysis

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