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86488-93-9 | Cyclohexanone, 2-[(diphenylphosphinyl)methyl]-
CAS No: 86488-93-9 Catalog No: AG004VLO MDL No:
Product Description
Catalog Number:
AG004VLO
Chemical Name:
Cyclohexanone, 2-[(diphenylphosphinyl)methyl]-
CAS Number:
86488-93-9
Molecular Formula:
C19H21O2P
Molecular Weight:
312.3426
IUPAC Name:
2-(diphenylphosphorylmethyl)cyclohexan-1-one
InChI:
InChI=1S/C19H21O2P/c20-19-14-8-7-9-16(19)15-22(21,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-6,10-13,16H,7-9,14-15H2
InChI Key:
QVBLYOZBFQCGJO-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1CP(=O)(c1ccccc1)c1ccccc1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.128g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.349g/mol
Monoisotopic Mass:
312.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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