AG005MFK

7364-20-7 | Benzoic acid, 4-ethyl-,methyl ester

AG005MFK

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CAS Number	7364-20-7
Catalog Number	AG005MFK(AGN-PC-0JKHAV)
Chemical Name	Benzoic acid, 4-ethyl-,methyl ester
IUPAC Name	methyl 4-ethylbenzoate
InChI	InChI=1S/C10H12O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h4-7H,3H2,1-2H3
InChI Key	CAABRJFUDNBRJZ-UHFFFAOYSA-N
MDL Number	MFCD00221477
Molecular Formula	C10H12O2
Molecular Weight	164.2011
SMILES	O=C(OC)C1=CC=C(CC)C=C1
Synonyms	Methyl 4-ethylbenzoate, 7364-20-7, Benzoic acid, 4-ethyl-, methyl ester, 4-ethylbenzoic acid methyl ester, Benzoic acid, 4-ethyl-,methyl ester, 4-Ethylbenzoic acid, methyl ester, CAABRJFUDNBRJZ-UHFFFAOYSA-N, Methyl 4-ethylbenzoate #, AC1L2N0O, METHYL P-ETHYLBENZOATE, METHYL-4-ETHYLBENZOATE, SCHEMBL131711, CTK5D8405, KS-00002AJP, DTXSID00223858, Benzoic acid,4-ethyl-,methyl ester, ZINC2040382, KM1561, MFCD00221477, SBB087808, AKOS002392955, PS-5941, CJ-32373, SC-57109, FT-0693557, METHYL4-ETHYLBENZOATE, CID23827, C10-H12-O2,

Complexity	146
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	3
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number