AG003NS2

2025-40-3 | alpha-Cyanocinnamic acid ethyl ester

AG003NS2

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CAS Number	2025-40-3
Catalog Number	AG003NS2(AGN-PC-0JLBVU)
Chemical Name	alpha-Cyanocinnamic acid ethyl ester
EC Number	217-972-9
IUPAC Name	ethyl (E)-2-cyano-3-phenylprop-2-enoate
InChI	InChI=1S/C12H11NO2/c1-2-15-12(14)11(9-13)8-10-6-4-3-5-7-10/h3-8H,2H2,1H3/b11-8+
InChI Key	KCDAMWRCUXGACP-DHZHZOJOSA-N
MDL Number	MFCD00009137
Molecular Formula	C12H11NO2
Molecular Weight	201.2212
SMILES	O=C(OCC)C(C#N)=CC1=CC=CC=C1
Synonyms	alpha-Cyanocinnamic acid ethyl ester, 2025-40-3, 2169-69-9, ethyl (2E)-2-cyano-3-phenylprop-2-enoate, Ethyl 2-Cyano-3-phenylacrylate, Ethyl benzylidenecyanoacetate, Cinnamic acid, alpha-cyano-, ethyl ester, Ethyl trans-alpha-cyanocinnamate, (E)-2-Cyano-3-phenyl-acrylic acid ethyl ester, KCDAMWRCUXGACP-DHZHZOJOSA-N, (E)-Ethyl 2-Cyano-3-phenyl-2-propenoate, ethyl (E)-2-cyano-3-phenylprop-2-enoate, 14533-87-0, 2-Propenoic acid, 2-cyano-3-phenyl-, ethyl ester, (E)-Ethyl 2-cyano-3-phenylacrylate, ethyl 2-cyano-3-phenylprop-2-enoate, Ethyl .alpha.-cyanocinnamate, NSC 8904, EINECS 217-972-9, Ethyl alpha-cyano-beta-phenylcinnamate, AC1LDJLV, AI3-10525, AC1Q4QJR, ethyl trans-a-cyanocinnamate, alpha-Cyanocinnamic acid ethyl, SCHEMBL278655, AC1Q31U9, CHEMBL4091929, ZINC28235, HMS1661F17, trans-Ethyl .alpha.-cyanocinnamate, 5962AF, BBL002782, CCG-54264, MFCD00009137, SBB058854, STK390983, AKOS003238530, ethyl (2E)-2-cyano-3-phenylacrylate, Ethyl trans-alpha-cyanocinnamate, 99%, GS-6011, 2-Cyano-3-phenylacrylic Acid Ethyl Ester, ST001499, Ethyl(2E)-2-cyano-3-phenyl-2-propenoate, ethyl (E)-2-cyano-3-phenyl-prop-2-enoate, T7531, Ethyl (2E)-2-cyano-3-phenyl-2-propenoate #, J-014239, S01-0519, SR-01000643371-1, Ethyl 2-cyanocinnamate, Ethyl alpha-cyanocinnamate, C12H11NO2, AR-1I8399, c0448, C12-H11-N-O2, CID668187, 2-Cyano-3-phenyl-acrylic acid ethyl ester, Ethyl (2E)-2-cyano-3-phenyl-2-propenoate, 2064-23-5,

Complexity	292
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	201.079g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	201.225g/mol
Monoisotopic Mass	201.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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