AG003MU0

3168-59-0 | 5-Methoxy-2-methylbenzoic acid

AG003MU0

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CAS Number	3168-59-0
Catalog Number	AG003MU0(AGN-PC-0JNXTJ)
Chemical Name	5-Methoxy-2-methylbenzoic acid
IUPAC Name	5-methoxy-2-methylbenzoic acid
InChI	InChI=1S/C9H10O3/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChI Key	OJDIEULKBFEZGD-UHFFFAOYSA-N
MDL Number	MFCD01846081
Molecular Formula	C9H10O3
Molecular Weight	166.1739
NSC Number	97602
SMILES	C1=C(C(=CC=C1OC)C)C(=O)O
Synonyms	5-methoxy-2-methylbenzoic acid, 3168-59-0, 5-Methoxy-2-methyl-benzoic acid, Benzoic acid, 5-methoxy-2-methyl-, NSC97602, AC1Q5TSG, KSC495G7B, 5-Methoxy-2-methylbenzoicAcid, 2-Methoxy-5-MethylbenzoicAcid, AC1L697O, SCHEMBL11694926, CTK3J5370, KS-00000CTP, DTXSID20294661, ZINC1632799, ANW-50830, CL8128, MFCD01846081, NSC-97602, SBB087983, AKOS004907966, CM12834, CS-W006228, FS-2230, RTR-013423, TRA0059376, AC-29259, AJ-28476, AK-39299, BC202425, BR-39299, SY021308, AB0024153, AB1005921, DB-031146, ST2412064, TL8006893, TR-013423, A5093, FT-0647512, W5360, S-4207, MFCD01846081 (97+%), 168M590, AE-562/43286947, I01-7449, I04-1151, null, 2-Methoxy-5-methylbenzoic acid, 5-Methoxy-2-Methyl-BenzoicAcid, C9H10O3, AR-1G8684, CID263218, 2-METHYL-5-METHOXYBENZOIC ACID, 25045-36-7, 31936-85-3,

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	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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