AG003Q3U

7498-85-3 | Ethyl 2-cyano-3-(1-naphthalenyl)acrylate

AG003Q3U

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CAS Number	7498-85-3
Catalog Number	AG003Q3U(AGN-PC-0JMIUF)
Chemical Name	Ethyl 2-cyano-3-(1-naphthalenyl)acrylate
IUPAC Name	ethyl (E)-2-cyano-3-naphthalen-1-ylprop-2-enoate
InChI	InChI=1S/C16H13NO2/c1-2-19-16(18)14(11-17)10-13-8-5-7-12-6-3-4-9-15(12)13/h3-10H,2H2,1H3/b14-10+
InChI Key	LKIMUVKEQPRZFV-GXDHUFHOSA-N
MDL Number	MFCD00178328
Molecular Formula	C16H13NO2
Molecular Weight	251.2799
SMILES	CCOC(=O)C(=CC1=C2C=CC=CC2=CC=C1)C#N
Synonyms	Ethyl 2-Cyano-3-(1-naphthalenyl)acrylate, 7498-85-3, LKIMUVKEQPRZFV-GXDHUFHOSA-N, Ethyl 2-cyano-trans-3-(1-naphthyl)acrylate, 29707-99-1, ethyl (E)-2-cyano-3-naphthalen-1-ylprop-2-enoate, AC1LEIQU, AC1Q4QJU, 2-Cyano-3-naphthalen-1-yl-acrylic acid ethyl ester, CHEMBL4069249, SCHEMBL10521426, ZINC160792, 6690AJ, MFCD00178328, AKOS000656321, CCG-239773, AS-31698, BAS 00513674, CJ-01943, Ethyl (E)-2-cyano-3-(1-naphthyl)acrylate, Z-4612, ethyl (E)-2-cyano-3-(1-naphthyl)-2-propenoate, ethyl (E)-2-cyano-3-(1-naphthyl)prop-2-enoate, Ethyl (2E)-2-cyano-3-(1-naphthyl)-2-propenoate #, C16H13NO2, CID736716, NSC407593,

Complexity	404
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	251.095g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	251.285g/mol
Monoisotopic Mass	251.095g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H410
Packing Group	Ⅲ
Precautionary statements	P273-P391-P501
UN Code	UN 3077

Certificate of Analysis

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