AG005PBL

6731-58-4 | Ethyl 2-Cyano-3-Phenylpropanoate

AG005PBL

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CAS Number	6731-58-4
Catalog Number	AG005PBL(AGN-PC-0TNY19)
Chemical Name	Ethyl 2-Cyano-3-Phenylpropanoate
IUPAC Name	ethyl 2-cyano-3-phenylpropanoate
InChI	InChI=1S/C12H13NO2/c1-2-15-12(14)11(9-13)8-10-6-4-3-5-7-10/h3-7,11H,2,8H2,1H3
InChI Key	SYKQOFCBFHMCJV-UHFFFAOYSA-N
MDL Number	MFCD00067883
Molecular Formula	C12H13NO2
Molecular Weight	203.2371
NSC Number	20717
SMILES	O=C(OCC)C(C#N)CC1=CC=CC=C1
Synonyms	ethyl 2-cyano-3-phenylpropanoate, 6731-58-4, NSC20717, ethyl benzylcyanoacetate, AC1Q4QKJ, AC1L5FZ7, SCHEMBL7391243, CTK5C6025, DTXSID40281199, Ethyl 2-cyano-3-phenylpropionate, SYKQOFCBFHMCJV-UHFFFAOYSA-N, ethyl 2-cyano-3-phenylpro-panoate, benzyl-cyanoacetic acid ethyl ester, MFCD00067883, NSC-20717, AKOS017445778, alpha-Cyanohydrocinnamic acid ethyl ester, SY023619, 2-cyano-3-phenylpropionic acid ethyl ester, alpha-cyanobenzenepropanoic acid ethyl ester, Benzenepropanoic acid, a-cyano-, ethyl ester, CS-0038810, MFCD00067883 (95%), Benzenepropanoic acid, alpha-cyano-, ethyl ester, AR-1I8400, CID228103, 77932-98-0,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.095g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	203.241g/mol
Monoisotopic Mass	203.095g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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