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123796-92-9 | 4-Pentenenitrile, 3-oxo-5-phenyl-2-(triphenylphosphoranylidene)-
CAS No: 123796-92-9 Catalog No: AG000L3S MDL No:
Product Description
Catalog Number:
AG000L3S
Chemical Name:
4-Pentenenitrile, 3-oxo-5-phenyl-2-(triphenylphosphoranylidene)-
CAS Number:
123796-92-9
Molecular Formula:
C29H22NOP
Molecular Weight:
431.4648
IUPAC Name:
3-oxo-5-phenyl-2-(triphenyl-λ5-phosphanylidene)pent-4-enenitrile
InChI:
InChI=1S/C29H22NOP/c30-23-29(28(31)22-21-24-13-5-1-6-14-24)32(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-22H
InChI Key:
VGCLFAAKQCWDIB-UHFFFAOYSA-N
SMILES:
N#CC(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)C=Cc1ccccc1
Properties
Complexity:
695
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.144g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
431.475g/mol
Monoisotopic Mass:
431.144g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.8
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