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127486-94-6 | Phosphine oxide, triphenyl-, hydrate (2:1)
CAS No: 127486-94-6 Catalog No: AG000X3Y MDL No:
Product Description
Catalog Number:
AG000X3Y
Chemical Name:
Phosphine oxide, triphenyl-, hydrate (2:1)
CAS Number:
127486-94-6
Molecular Formula:
C36H32O3P2
Molecular Weight:
574.5850
IUPAC Name:
diphenylphosphorylbenzene;hydrate
InChI:
InChI=1S/2C18H15OP.H2O/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h2*1-15H;1H2
InChI Key:
GTEUZTYCMFLEND-UHFFFAOYSA-N
SMILES:
O=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.O
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
574.183g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
574.597g/mol
Monoisotopic Mass:
574.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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