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89201-14-9 | 2-Butenoic acid, 4-(4-chlorophenyl)-2-cyano-4-oxo-, ethyl ester
CAS No: 89201-14-9 Catalog No: AG0045O8 MDL No:
Product Description
Catalog Number:
AG0045O8
Chemical Name:
2-Butenoic acid, 4-(4-chlorophenyl)-2-cyano-4-oxo-, ethyl ester
CAS Number:
89201-14-9
Molecular Formula:
C13H10ClNO3
Molecular Weight:
263.6764
IUPAC Name:
ethyl 4-(4-chlorophenyl)-2-cyano-4-oxobut-2-enoate
InChI:
InChI=1S/C13H10ClNO3/c1-2-18-13(17)10(8-15)7-12(16)9-3-5-11(14)6-4-9/h3-7H,2H2,1H3
InChI Key:
YCFANTTZVFXHLU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CC(=O)c1ccc(cc1)Cl)C#N
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.035g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.677g/mol
Monoisotopic Mass:
263.035g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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