AG003B8T

704-45-0 | 4-Methyl-2-methoxybenzoic acid

AG003B8T

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CAS Number	704-45-0
Catalog Number	AG003B8T(AGN-PC-0JTIUP)
Chemical Name	4-Methyl-2-methoxybenzoic acid
IUPAC Name	2-methoxy-4-methylbenzoic acid
InChI	InChI=1S/C9H10O3/c1-6-3-4-7(9(10)11)8(5-6)12-2/h3-5H,1-2H3,(H,10,11)
InChI Key	SOWDWUPMHVDZGL-UHFFFAOYSA-N
MDL Number	MFCD00020380
Molecular Formula	C9H10O3
Molecular Weight	166.1739
SMILES	COC1=C(C=CC(C)=C1)C(O)=O
Synonyms	2-Methoxy-4-methylbenzoic acid, 704-45-0, 4-Methyl-2-methoxybenzoic acid, 2-methoxy-4-methyl-benzoic acid, Benzoic acid, methoxy-4-methyl-, SOWDWUPMHVDZGL-UHFFFAOYSA-N, 4-Methyl-2-methoxybenzoicacid, ACMC-20aif3, AC1LC9U9, KSC495K6L, SCHEMBL365917, CTK3J5565, DTXSID40344470, Benzoic acid,2-methoxy-4-methyl-, ZINC410029, AC1Q4889, 4-methyl-2-(methyloxy)benzoic acid, ANW-74797, MFCD00020380, AKOS000109287, 2-Methoxy-4-methylbenzoic acid, 97%, AM84151, CM-1142, FS-1705, MCULE-1345016694, RP22891, RTR-023329, TRA0054747, VZ24849, KS-0000114Y, AC-25652, AJ-22788, AN-47347, SC-52130, AB1006237, DB-031112, TR-023329, A9292, BB 0244693, FT-0646495, M6354, V0777, Y-8737, 704M450, J-515709, I01-14513, Z118458672, null, 3-Methoxy-p-toluic acid, C9H10O3, enzoic acid,2-methoxy-4-methyl-, CID597164, ACN-049652, 2203-97-6,

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	2.8

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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