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18896-73-6

18896-73-6 | Phosphonic acid, P-(1-cyano-2-phenylethenyl)-, diethyl ester

CAS No: 18896-73-6 Catalog No: AG002HM0 MDL No:

Product Description

Catalog Number:
AG002HM0
Chemical Name:
Phosphonic acid, P-(1-cyano-2-phenylethenyl)-, diethyl ester
CAS Number:
18896-73-6
Molecular Formula:
C13H16NO3P
Molecular Weight:
265.2448
IUPAC Name:
(E)-2-diethoxyphosphoryl-3-phenylprop-2-enenitrile
InChI:
InChI=1S/C13H16NO3P/c1-3-16-18(15,17-4-2)13(11-14)10-12-8-6-5-7-9-12/h5-10H,3-4H2,1-2H3/b13-10+
InChI Key:
SEZSXMSQCRWUAS-JLHYYAGUSA-N
SMILES:
CCOP(=O)(C(=Cc1ccccc1)C#N)OCC
NSC Number:
655961

Properties

Complexity:
367  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
265.087g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.249g/mol
Monoisotopic Mass:
265.087g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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