AG003LMQ

6880-04-2 | 4-Methoxy-3-methylbenzoic acid

AG003LMQ

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CAS Number	6880-04-2
Catalog Number	AG003LMQ(AGN-PC-0KKNBS)
Chemical Name	4-Methoxy-3-methylbenzoic acid
IUPAC Name	4-methoxy-3-methylbenzoic acid
InChI	InChI=1S/C9H10O3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5H,1-2H3,(H,10,11)
InChI Key	DNMUMZLKDOZMEY-UHFFFAOYSA-N
MDL Number	MFCD00270114
Molecular Formula	C9H10O3
Molecular Weight	166.1739
SMILES	O=C(O)C1=CC=C(OC)C(C)=C1
Synonyms	4-Methoxy-3-methylbenzoic Acid, 6880-04-2, 3-methyl-4-methoxybenzoic acid, 4-Methoxy-3-methyl-benzoic acid, 4-Methoxy-3-MethylbenzoicAcid, 3-Methyl-p-anisic acid, Benzoic acid, 4-methoxy-3-methyl-, BAS 12820340, AC1MC0QP, 4-Methoxy-m-toluic Acid, AC1Q4C3F, KSC495K5J, SCHEMBL701782, Jsp000046, 4-me-thoxy-3-methylbenzoic acid, 4-methoxy-3-methyl benzoic acid, CTK3J5554, KS-00000CCA, DTXSID40374853, DNMUMZLKDOZMEY-UHFFFAOYSA-N, ACN-S004075, ACT12270, CS-B0787, ZINC2562424, ANW-48337, MFCD00270114, SBB017677, AKOS000112124, AC-2772, AM84178, AS01296, FS-1547, MCULE-9876642365, RP22892, RTR-022944, TRA0020190, AJ-40743, AK-32602, AN-13652, BR-32602, SC-24993, SY002871, 4-Methoxy-3-methylbenzoic acid, AldrichCPR, AB1005922, DB-031138, ST2411496, TR-022944, BB 0238592, FT-0676037, M2728, ST50321576, X8090, S-1966, MFCD00270114 (97+%), 880M042, AE-562/43459660, I01-7428, J-515641, F0001-1793, 4-Methoxy-3-toluic acid, C9H10O3, CID2759583, A1447,

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	2.3

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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