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1474-93-7 | 1,3-Butanedione, 1-phenyl-2-(triphenylphosphoranylidene)-
CAS No: 1474-93-7 Catalog No: AG001EW3 MDL No:
Product Description
Catalog Number:
AG001EW3
Chemical Name:
1,3-Butanedione, 1-phenyl-2-(triphenylphosphoranylidene)-
CAS Number:
1474-93-7
Molecular Formula:
C28H23O2P
Molecular Weight:
422.4548
IUPAC Name:
1-phenyl-2-(triphenyl-λ5-phosphanylidene)butane-1,3-dione
InChI:
InChI=1S/C28H23O2P/c1-22(29)28(27(30)23-14-6-2-7-15-23)31(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21H,1H3
InChI Key:
HIVWCBQLKSQWRO-UHFFFAOYSA-N
SMILES:
CC(=O)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1
Properties
Complexity:
617
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.144g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.464g/mol
Monoisotopic Mass:
422.144g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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