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88963-01-3

88963-01-3 | 1-Penten-3-one, 5-(dibutylphosphinyl)-1,5-diphenyl-

CAS No: 88963-01-3 Catalog No: AG0046IX MDL No:

Product Description

Catalog Number:
AG0046IX
Chemical Name:
1-Penten-3-one, 5-(dibutylphosphinyl)-1,5-diphenyl-
CAS Number:
88963-01-3
Molecular Formula:
C25H33O2P
Molecular Weight:
396.5021
IUPAC Name:
5-dibutylphosphoryl-1,5-diphenylpent-1-en-3-one
InChI:
InChI=1S/C25H33O2P/c1-3-5-19-28(27,20-6-4-2)25(23-15-11-8-12-16-23)21-24(26)18-17-22-13-9-7-10-14-22/h7-18,25H,3-6,19-21H2,1-2H3
InChI Key:
OSFIBUVRDQYXJZ-UHFFFAOYSA-N
SMILES:
CCCCP(=O)(C(c1ccccc1)CC(=O)C=Cc1ccccc1)CCCC

Properties

Complexity:
501  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.222g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.511g/mol
Monoisotopic Mass:
396.222g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
5.1  

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