AG003INQ

61040-81-1 | 3,5-Dimethoxy-4-methylbenzoic acid

AG003INQ

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CAS Number	61040-81-1
Catalog Number	AG003INQ(AGN-PC-0KZQH1)
Chemical Name	3,5-Dimethoxy-4-methylbenzoic acid
IUPAC Name	3,5-dimethoxy-4-methylbenzoic acid
InChI	InChI=1S/C10H12O4/c1-6-8(13-2)4-7(10(11)12)5-9(6)14-3/h4-5H,1-3H3,(H,11,12)
InChI Key	QIBMVRYNEXOCCF-UHFFFAOYSA-N
MDL Number	MFCD00017506
Molecular Formula	C10H12O4
Molecular Weight	196.1999
SMILES	O=C(O)C1=CC(OC)=C(C)C(OC)=C1
Synonyms	3,5-dimethoxy-4-methylbenzoic acid, 61040-81-1, 3,5-dimethoxy-4-methyl-benzoic Acid, QIBMVRYNEXOCCF-UHFFFAOYSA-N, 3,5-DIMETHOXY-P-TOLUIC ACID, MFCD00017506, Benzoic acid,3,5-dimethoxy-4-methyl-, AC1MXESR, AC1Q47JI, ACMC-1B58Y, SCHEMBL668540, CTK5B2622, DTXSID30396100, 3,5-dimethoxy4-methylbenzoic acid, ZINC5212129, 4-methyl-3,5-dimethoxybenzoic acid, LABOTEST-BB LT00455447, SBB058015, 3,5-dimethoxy-4-methyl benzoic acid, AKOS000120545, 3,5-di-methoxy-4-methyl-benzoic acid, AS02536, CS-W008043, MCULE-1971631194, TRA0089792, Benzoic acid, 3,5-dimethoxy-4-methyl-, AJ-53612, AM808199, AS-11562, AB0010331, DB-053777, TC-169930, BB 0246914, FT-0614650, ST24041244, ST50406952, M-2303, I14-56129, Z1270246402, C10H12O4, 3,5-DIMETHOXY-4-METHYLBENZOICACID, ACN-041565, CID3764486,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.074g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.202g/mol
Monoisotopic Mass	196.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.8A^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
Signal Words	warning
UN Code

Certificate of Analysis

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