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88834-27-9 | 2-Phosphorinanol, 1,2,4,6-tetraphenyl-, 1-oxide
CAS No: 88834-27-9 Catalog No: AG004AJ4 MDL No:
Product Description
Catalog Number:
AG004AJ4
Chemical Name:
2-Phosphorinanol, 1,2,4,6-tetraphenyl-, 1-oxide
CAS Number:
88834-27-9
Molecular Formula:
C29H27O2P
Molecular Weight:
438.4972
IUPAC Name:
1-oxo-1,2,4,6-tetraphenyl-1λ5-phosphinan-2-ol
InChI:
InChI=1S/C29H27O2P/c30-29(26-17-9-3-10-18-26)22-25(23-13-5-1-6-14-23)21-28(24-15-7-2-8-16-24)32(29,31)27-19-11-4-12-20-27/h1-20,25,28,30H,21-22H2
InChI Key:
FMJCOIDLXLSWND-UHFFFAOYSA-N
SMILES:
OC1(CC(CC(P1(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
638
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.175g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
438.507g/mol
Monoisotopic Mass:
438.175g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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