AG002THI

26507-91-5 | Benzoic acid, 2-methoxy-3-methyl-

AG002THI

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CAS Number	26507-91-5
Catalog Number	AG002THI(AGN-PC-0JYHEI)
Chemical Name	Benzoic acid, 2-methoxy-3-methyl-
IUPAC Name	2-methoxy-3-methylbenzoic acid
InChI	InChI=1S/C9H10O3/c1-6-4-3-5-7(9(10)11)8(6)12-2/h3-5H,1-2H3,(H,10,11)
InChI Key	KISMEIDIHLMTCQ-UHFFFAOYSA-N
MDL Number	MFCD00016522
Molecular Formula	C9H10O3
Molecular Weight	166.1739
SMILES	COC1=C(C=CC=C1C)C(O)=O
Synonyms	2-METHOXY-3-METHYLBENZOIC ACID, 26507-91-5, 2-methoxy-3-methyl-benzoic Acid, 2-Methoxy-3-MethylbenzoicAcid, Benzoic acid, 2-methoxy-3-methyl-, AC1LIDBW, 3-Methyl-o-anisic acid, SCHEMBL305252, CTK4F8029, DTXSID00359222, KISMEIDIHLMTCQ-UHFFFAOYSA-N, ZINC556359, ALBB-025586, 3-methyl-2-(methyloxy)benzoic acid, 2375AB, ANW-65616, BBL002640, MFCD00016522, SBB027570, STK002966, AKOS000109333, MCULE-4091475320, AJ-23475, ST088206, 2-methoxy-3-methylbenzoic acid, AldrichCPR, AB0162890, AB1006238, DB-031111, TR-045801, A5248, BB 0244991, FT-0693074, W-6222, 3-Methyl-o-anisic acid; Methoxyl-m-toluic acid, C9H10O3, CID952396,

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	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

Lot Number