AG002Q98

25045-36-7 | Benzoic acid, 2-methoxy-5-methyl-

AG002Q98

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CAS Number	25045-36-7
Catalog Number	AG002Q98(AGN-PC-0JS9BD)
Chemical Name	Benzoic acid, 2-methoxy-5-methyl-
IUPAC Name	2-methoxy-5-methylbenzoic acid
InChI	InChI=1S/C9H10O3/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChI Key	QEFQGRZFYWPDSU-UHFFFAOYSA-N
MDL Number	MFCD00045849
Molecular Formula	C9H10O3
Molecular Weight	166.1739
SMILES	C(=O)(O)c1c(OC)ccc(c1)C
Synonyms	2-Methoxy-5-methylbenzoic acid, 25045-36-7, 2-Methoxy-5-methylbenxoic acid, Benzoic acid, 2-methoxy-5-methyl-, 2-Methoxy-5-methyl-benzoic acid, QEFQGRZFYWPDSU-UHFFFAOYSA-N, Benzoic acid,2-methoxy-5-methyl-, ACMC-20ahsy, AC1LATTZ, SCHEMBL91954, CTK4F4866, DTXSID30334269, OTAVA-BB 1312848, OTAVA-BB 1507355, EBD30496, KS-00003T5R, ZINC2507915, 5-methyl-2-(methyloxy)benzoic acid, ANW-74000, CK1068, MFCD00045849, AKOS000112229, 2-Methoxy-5-methylbenzoic acid, 97%, AS00154, CS-W007943, TRA0065445, VZ30428, KS-00000N47, AC-14839, AJ-36257, AK-89618, BC208222, TS-02232, AB0030606, AB1006236, DB-011400, TR-040078, FT-0638489, ST24040775, X2814, M80344, Y-9886, I04-9077, J-015791, null, 2-Methoxy-5-MethylbenzoicAcid, 5-methoxy-2-methylbenzoic acid, C9H10O3, CID520167, 2-METHYL-5-METHOXYBENZOIC ACID, 58506-24-4,

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-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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