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88301-09-1 | 2-Butenoic acid, 2-cyano-3-[(4-methylphenyl)amino]-, ethyl ester, (Z)-
CAS No: 88301-09-1 Catalog No: AG0048QW MDL No:
Product Description
Catalog Number:
AG0048QW
Chemical Name:
2-Butenoic acid, 2-cyano-3-[(4-methylphenyl)amino]-, ethyl ester, (Z)-
CAS Number:
88301-09-1
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
IUPAC Name:
ethyl 2-cyano-3-(4-methylanilino)but-2-enoate
InChI:
InChI=1S/C14H16N2O2/c1-4-18-14(17)13(9-15)11(3)16-12-7-5-10(2)6-8-12/h5-8,16H,4H2,1-3H3
InChI Key:
ZQLSJIJQMNPMTE-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C(\Nc1ccc(cc1)C)/C)/C#N
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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