AG001LGV

14920-81-1 | Benzoic acid, 2,6-dimethyl-, methyl ester

AG001LGV

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CAS Number	14920-81-1
Catalog Number	AG001LGV(AGN-PC-0JS8NQ)
Chemical Name	Benzoic acid, 2,6-dimethyl-, methyl ester
IUPAC Name	methyl 2,6-dimethylbenzoate
InChI	InChI=1S/C10H12O2/c1-7-5-4-6-8(2)9(7)10(11)12-3/h4-6H,1-3H3
InChI Key	XJMULMWDHLJUKP-UHFFFAOYSA-N
MDL Number	MFCD06203721
Molecular Formula	C10H12O2
Molecular Weight	164.2011
SMILES	O=C(OC)C1=C(C)C=CC=C1C
Synonyms	Methyl 2,6-dimethylbenzoate, 14920-81-1, Benzoic acid, 2,6-dimethyl-, methyl ester, XJMULMWDHLJUKP-UHFFFAOYSA-N, 2,6-dimethylbenzoic acid methyl ester, methyl m-methyltoluate, AC1LARKT, ACMC-1C4VJ, Methyl2,6-Dimethylbenzoate, SCHEMBL403705, Methyl 2,6-Dimethyl-benzoate, CTK8B0820, DTXSID70333877, KS-00000BP7, ANW-21193, MFCD06203721, ZINC15119462, AKOS006294000, TRA0083054, 2,6-dimethylbenzoic acid, methyl ester, 2,6-(CH3)2-C6H3-COOCH3, AC-25602, AJ-67220, AK108044, AS-31348, CJ-15084, SC-88880, SY020109, TR-006025, FT-0687124, Z2467, B-3759, MFCD06203721 (97+%), I01-11459, C10H12O2, CID519028, 259810-12-3,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.204g/mol
Monoisotopic Mass	164.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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