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89358-78-1 | 3-Pentanone, 1-(diphenylphosphinyl)-2,4-dimethyl-
CAS No: 89358-78-1 Catalog No: AG003X5U MDL No:
Product Description
Catalog Number:
AG003X5U
Chemical Name:
3-Pentanone, 1-(diphenylphosphinyl)-2,4-dimethyl-
CAS Number:
89358-78-1
Molecular Formula:
C19H23O2P
Molecular Weight:
314.3585
IUPAC Name:
1-diphenylphosphoryl-2,4-dimethylpentan-3-one
InChI:
InChI=1S/C19H23O2P/c1-15(2)19(20)16(3)14-22(21,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15-16H,14H2,1-3H3
InChI Key:
OPGLFRHQTQDSES-UHFFFAOYSA-N
SMILES:
CC(C(=O)C(C)C)CP(=O)(c1ccccc1)c1ccccc1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.144g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.365g/mol
Monoisotopic Mass:
314.144g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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