AG00IA95

57556-31-7 | Benzoic acid, 4-hydroxy-2-methyl-, methyl ester

AG00IA95

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CAS Number	57556-31-7
Catalog Number	AG00IA95(AGN-PC-0NIPNA)
Chemical Name	Benzoic acid, 4-hydroxy-2-methyl-, methyl ester
IUPAC Name	methyl 4-hydroxy-2-methylbenzoate
InChI	InChI=1S/C9H10O3/c1-6-5-7(10)3-4-8(6)9(11)12-2/h3-5,10H,1-2H3
InChI Key	FINKSGWSBJRISB-UHFFFAOYSA-N
MDL Number	MFCD09752667
Molecular Formula	C9H10O3
Molecular Weight	166.1739
SMILES	COC(=O)C1=C(C)C=C(O)C=C1
Synonyms	methyl 4-hydroxy-2-methylbenzoate, 57556-31-7, 4-hydroxy-2-methyl-benzoic acid methyl ester, methyl 2-methyl-4-hydroxybenzoate, Benzoic acid, 4-hydroxy-2-methyl-, methyl ester, SCHEMBL131661, CTK8B6869, DTXSID70493405, FINKSGWSBJRISB-UHFFFAOYSA-N, BCP24536, 8490AB, ANW-54672, MFCD09752667, ZINC39212859, Methyl-4-Hydroxybenzoesauremethylester, AKOS006327533, KS-000019L0, AJ-99111, AK-41474, DA-18181, DS-13859, SC-70260, 4-hydroxy-2-methylbenzoic acid methyl ester, TC-143417, 2-Methyl-4-hydroxybenzoic acid methyl ester, CS-0038132, FT-0725801, 4-hydroxy-2-methyl benzoic acid methyl ester, AE-562/43459973, Z1527458985, C9H10O3,

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	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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