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84370-12-7 | 6-Dodecanone, 5-(triphenylphosphoranylidene)-
CAS No: 84370-12-7 Catalog No: AG0055S3 MDL No:
Product Description
Catalog Number:
AG0055S3
Chemical Name:
6-Dodecanone, 5-(triphenylphosphoranylidene)-
CAS Number:
84370-12-7
Molecular Formula:
C30H37OP
Molecular Weight:
444.5879
IUPAC Name:
5-(triphenyl-λ5-phosphanylidene)dodecan-6-one
InChI:
InChI=1S/C30H37OP/c1-3-5-7-17-24-29(31)30(25-6-4-2)32(26-18-11-8-12-19-26,27-20-13-9-14-21-27)28-22-15-10-16-23-28/h8-16,18-23H,3-7,17,24-25H2,1-2H3
InChI Key:
UBLPBMLHBMEVAA-UHFFFAOYSA-N
SMILES:
CCCCC(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)CCCCCC
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.258g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
444.599g/mol
Monoisotopic Mass:
444.258g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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