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90097-40-8 | 1H-Phosphindol-2-ol, octahydro-1,2-diphenyl-, 1-oxide
CAS No: 90097-40-8 Catalog No: AG006JEF MDL No:
Product Description
Catalog Number:
AG006JEF
Chemical Name:
1H-Phosphindol-2-ol, octahydro-1,2-diphenyl-, 1-oxide
CAS Number:
90097-40-8
Molecular Formula:
C20H23O2P
Molecular Weight:
326.3692
IUPAC Name:
1-oxo-1,2-diphenyl-3a,4,5,6,7,7a-hexahydro-3H-phosphindol-2-ol
InChI:
InChI=1S/C20H23O2P/c21-20(17-10-3-1-4-11-17)15-16-9-7-8-14-19(16)23(20,22)18-12-5-2-6-13-18/h1-6,10-13,16,19,21H,7-9,14-15H2
InChI Key:
GAEATNFJIPMKTN-UHFFFAOYSA-N
SMILES:
OC1(CC2C(P1(=O)c1ccccc1)CCCC2)c1ccccc1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.144g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.376g/mol
Monoisotopic Mass:
326.144g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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