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28711-04-8 | 2-Butenoic acid, 2-cyano-3-(4-methoxyphenyl)-, butyl ester
CAS No: 28711-04-8 Catalog No: AG002W76 MDL No:
Product Description
Catalog Number:
AG002W76
Chemical Name:
2-Butenoic acid, 2-cyano-3-(4-methoxyphenyl)-, butyl ester
CAS Number:
28711-04-8
Molecular Formula:
C16H19NO3
Molecular Weight:
273.3270
IUPAC Name:
butyl (Z)-2-cyano-3-(4-methoxyphenyl)but-2-enoate
InChI:
InChI=1S/C16H19NO3/c1-4-5-10-20-16(18)15(11-17)12(2)13-6-8-14(19-3)9-7-13/h6-9H,4-5,10H2,1-3H3/b15-12-
InChI Key:
NKBHDHWFTJYJSK-QINSGFPZSA-N
SMILES:
CCCCOC(=O)C(=C(c1ccc(cc1)OC)C)C#N
EC Number:
249-176-2
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
273.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.332g/mol
Monoisotopic Mass:
273.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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