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101305-44-6 | 3,4-Hexanedione, 2,5-bis(triphenylphosphoranylidene)-
CAS No: 101305-44-6 Catalog No: AG00047F MDL No:
Product Description
Catalog Number:
AG00047F
Chemical Name:
3,4-Hexanedione, 2,5-bis(triphenylphosphoranylidene)-
CAS Number:
101305-44-6
Molecular Formula:
C42H36O2P2
Molecular Weight:
634.6816
IUPAC Name:
2,5-bis(triphenyl-λ5-phosphanylidene)hexane-3,4-dione
InChI:
InChI=1S/C42H36O2P2/c1-33(45(35-21-9-3-10-22-35,36-23-11-4-12-24-36)37-25-13-5-14-26-37)41(43)42(44)34(2)46(38-27-15-6-16-28-38,39-29-17-7-18-30-39)40-31-19-8-20-32-40/h3-32H,1-2H3
InChI Key:
GSUVPPCKGSCVDJ-UHFFFAOYSA-N
SMILES:
O=C(C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C)C(=O)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C
Properties
Complexity:
934
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
634.219g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
634.696g/mol
Monoisotopic Mass:
634.219g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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