AG002NWT

23617-71-2 | Benzoic acid, 2,4-dimethyl-, methyl ester

AG002NWT

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CAS Number	23617-71-2
Catalog Number	AG002NWT(AGN-PC-0JKM9W)
Chemical Name	Benzoic acid, 2,4-dimethyl-, methyl ester
IUPAC Name	methyl 2,4-dimethylbenzoate
InChI	InChI=1S/C10H12O2/c1-7-4-5-9(8(2)6-7)10(11)12-3/h4-6H,1-3H3
InChI Key	QQCLNRPRQRDMCK-UHFFFAOYSA-N
MDL Number	MFCD06203654
Molecular Formula	C10H12O2
Molecular Weight	164.2011
SMILES	O=C(OC)C1=CC=C(C)C=C1C
Synonyms	METHYL 2,4-DIMETHYLBENZOATE, 23617-71-2, Benzoic acid, 2,4-dimethyl-, methyl ester, 2,4-dimethylbenzoic acid methyl ester, QQCLNRPRQRDMCK-UHFFFAOYSA-N, AC1L1MUK, SCHEMBL158111, AC1Q5Z71, CTK4F1929, DTXSID20178290, KS-00000GK9, ZINC2015038, BBL035769, CM-954, MFCD06203654, STL444071, AKOS002392965, DS-7142, NE59410, 2,4-dimethyl-benzoic acid methyl ester, 2,4-(CH3)2-C6H3-COOCH3, AJ-32586, AK140642, SC-53235, Benzoic acid,2,4-dimethyl-, methyl ester, FT-0656613, A816808, I01-1451, CID32031,

Complexity	165
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	3.1

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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