AG001KT5

14533-86-9 | 2-Propenoic acid, 2-cyano-3-phenyl-, methyl ester, (2E)-

AG001KT5

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CAS Number	14533-86-9
Catalog Number	AG001KT5(AGN-PC-0O32Y3)
Chemical Name	2-Propenoic acid, 2-cyano-3-phenyl-, methyl ester, (2E)-
IUPAC Name	methyl (E)-2-cyano-3-phenylprop-2-enoate
InChI	InChI=1S/C11H9NO2/c1-14-11(13)10(8-12)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7+
InChI Key	XLNFLJOWTRDNCX-JXMROGBWSA-N
MDL Number	MFCD00025864
Molecular Formula	C11H9NO2
Molecular Weight	187.1947
SMILES	O=C(OC)/C(C#N)=C/C1=CC=CC=C1
Synonyms	Methyl 2-cyano-3-phenylacrylate, Methyl alpha-cyanocinnamate, (E)-Methyl 2-cyano-3-phenylacrylate, Methyl benzalcyanoacetate, 14533-86-9, 2-Cyano-3-Phenyl-Acrylic Acid Methyl Ester, Methyl benzalcynaoacetate, alpha-Cyanocinnamic acid methyl ester, 3695-84-9, Methyl (E)-2-Cyano-3-phenylacrylate, Methyl 2-cyano-3-phenyl-2-propenoate, NSC 163367, Benzal-cyanessigsaeure-methyl-ester, F 2378, 2-Propenoic acid, 2-cyano-3-phenyl-, methyl ester, AI3-33251, Benzal-cyanessigsaeure-methyl-ester [German], Cinnamic acid, .alpha.-cyano-, methyl ester, CINNAMIC ACID, alpha-CYANO-, METHYL ESTER, XLNFLJOWTRDNCX-JXMROGBWSA-N, methyl (E)-2-cyano-3-phenylprop-2-enoate, Methyl .alpha.-cyanocinnamate, 2-Propenoic acid, 2-cyano-3-phenyl-, methyl ester, (2E)-, AC1LDS21, alpha-Cyanocinnamic acid methyl, AC1Q41M8, SCHEMBL4246049, SCHEMBL6927070, (e)-methyl-alpha-cyanocinnamate, ZINC36592, ZX-AV000862, 4703AB, MFCD00025864, AKOS003851807, ACM3695849, .alpha.-Cyanocinnamic acid methyl ester, 2-Cyano-3-phenyl-propensaeuremethylester, AJ-08713, AS-32560, CJ-00212, LS-54075, (E)-Methyl 2-Cyano-3-phenyl-2-propenoate, AX8162036, DB-063606, TC-070303, K-8205, 2-Cyano-3-phenyl-2-propenoic acid, methyl ester, I01-10458, 2-Propenoic acid, 2-cyano-3-phenyl-, methyl ester (9CI), C11H9NO2, C11-H9-N-O2, CID674252,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	187.063g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	187.198g/mol
Monoisotopic Mass	187.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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