AG002J0M

20736-28-1 | Benzoic acid, 4,5-dimethoxy-2-methyl-

AG002J0M

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CAS Number	20736-28-1
Catalog Number	AG002J0M(AGN-PC-0KKIH4)
Chemical Name	Benzoic acid, 4,5-dimethoxy-2-methyl-
IUPAC Name	4,5-dimethoxy-2-methylbenzoic acid
InChI	InChI=1S/C10H12O4/c1-6-4-8(13-2)9(14-3)5-7(6)10(11)12/h4-5H,1-3H3,(H,11,12)
InChI Key	PRPBPUNVOHTNDA-UHFFFAOYSA-N
MDL Number	MFCD00029889
Molecular Formula	C10H12O4
Molecular Weight	196.1999
SMILES	O=C(O)C1=CC(OC)=C(OC)C=C1C
Synonyms	4,5-dimethoxy-2-methylbenzoic acid, 20736-28-1, Benzoic acid, 4,5-dimethoxy-2-methyl-, AC1MBKAA, SCHEMBL1505272, KS-00000CRP, DTXSID20372872, 4,5-Dimethoxy-2-methylbenzoicAcid, ZINC2143648, 2-Methyl-4,5-dimethoxybenzoic acid, 6037AJ, MFCD00029889, AKOS004907099, MCULE-1941902518, TRA0043289, AJ-33567, CS-11358, DA-16885, SY017157, AB0059042, TC-307592, CS-0047080, FT-0738663, Z-4400, MFCD00029889 (97+%), Z1407007537, C10H12O4, 4,5-dimethoxy-2-methyl-benzoic Acid, CID2752038, 39478-78-9,

Complexity	204
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number