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113882-67-0 | 1-Propanol, 2,3-bis(diphenylphosphinyl)-
CAS No: 113882-67-0 Catalog No: AG0009ZT MDL No:
Product Description
Catalog Number:
AG0009ZT
Chemical Name:
1-Propanol, 2,3-bis(diphenylphosphinyl)-
CAS Number:
113882-67-0
Molecular Formula:
C27H26O3P2
Molecular Weight:
460.4411
IUPAC Name:
2,3-bis(diphenylphosphoryl)propan-1-ol
InChI:
InChI=1S/C27H26O3P2/c28-21-27(32(30,25-17-9-3-10-18-25)26-19-11-4-12-20-26)22-31(29,23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-20,27-28H,21-22H2
InChI Key:
STMQJBRDKDXHAM-UHFFFAOYSA-N
SMILES:
OCC(P(=O)(c1ccccc1)c1ccccc1)CP(=O)(c1ccccc1)c1ccccc1
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.136g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
460.45g/mol
Monoisotopic Mass:
460.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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