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22950-49-8 | 1,2-Butanediol, 4-(diphenylphosphinyl)-1,2-diphenyl-
CAS No: 22950-49-8 Catalog No: AG002LNE MDL No:
Product Description
Catalog Number:
AG002LNE
Chemical Name:
1,2-Butanediol, 4-(diphenylphosphinyl)-1,2-diphenyl-
CAS Number:
22950-49-8
Molecular Formula:
C28H27O3P
Molecular Weight:
442.4859
IUPAC Name:
4-diphenylphosphoryl-1,2-diphenylbutane-1,2-diol
InChI:
InChI=1S/C28H27O3P/c29-27(23-13-5-1-6-14-23)28(30,24-15-7-2-8-16-24)21-22-32(31,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27,29-30H,21-22H2
InChI Key:
QSWKKZWNONLWNK-UHFFFAOYSA-N
SMILES:
OC(C(c1ccccc1)(CCP(=O)(c1ccccc1)c1ccccc1)O)c1ccccc1
NSC Number:
123175
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.17g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
442.495g/mol
Monoisotopic Mass:
442.17g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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