AG0060BP

6935-44-0 | ETHYL-ALPHA-CYANO-4-HYDROXYCINNAMATE

AG0060BP

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CAS Number	6935-44-0
Catalog Number	AG0060BP(AGN-PC-0JOH3A)
Chemical Name	ETHYL-ALPHA-CYANO-4-HYDROXYCINNAMATE
IUPAC Name	ethyl (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoate
InChI	InChI=1S/C12H11NO3/c1-2-16-12(15)10(8-13)7-9-3-5-11(14)6-4-9/h3-7,14H,2H2,1H3/b10-7+
InChI Key	HRBVVSOFSLPAOY-JXMROGBWSA-N
MDL Number	MFCD00188426
Molecular Formula	C12H11NO3
Molecular Weight	217.2206
NSC Number	52287
SMILES	CCOC(=O)C(=CC1=CC=C(O)C=C1)C#N
Synonyms	6935-44-0, (E)-Ethyl 2-cyano-3-(4-hydroxyphenyl)acrylate, Ethyl-alpha-cyano-4-hydroxycinnamate, ethyl (2E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoate, J-502013, Ethyl 2-cyano-3-(4-hydroxyphenyl)acrylate, ethyl (E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoate, ethyl 2-cyano-3-(4-hydroxyphenyl)prop-2-enoate, AK-81955, NSC52287, PubChem2362, AC1LDJKS, AC1Q4QEM, ethylcyanohydroxyphenylacrylate, AC1Q31U4, SCHEMBL10346450, ZINC28208, HRBVVSOFSLPAOY-JXMROGBWSA-N, CCG-6112, 0701AC, KM1258, MFCD00188426, NSC-52287, SBB095395, STK391322, AKOS001273167, AKOS025310068, ACN-052847, RP12559, AJ-08471, CC-28264, Ethyl (E)-alpha-cyano-4-hydroxycinnamate, ST001449, ZB000822, BIM-0017428.P001, AX8129670, Ethyl alpha-cyano-4-hydroxy-trans-cinnamate, TC-143720, 9N-903, 4-Hydroxy-alpha-cyanobenzeneacrylic acid ethyl ester, Ethyl (2E)-2-cyano-3-(4-hydroxyphenyl)-2-propenoate, Ethyl (2E)-2-cyano-3-(4-hydroxyphenyl)-2-propenoate #, 42205-38-9, C12H11NO3, AR-1I8377, CID668171, 80983-36-4,

Complexity	318
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	217.074g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	217.224g/mol
Monoisotopic Mass	217.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	70.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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