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7749-88-4 | Phosphonic acid, (3-oxo-1-phenylbutyl)-, diethyl ester
CAS No: 7749-88-4 Catalog No: AG005HGF MDL No:
Product Description
Catalog Number:
AG005HGF
Chemical Name:
Phosphonic acid, (3-oxo-1-phenylbutyl)-, diethyl ester
CAS Number:
7749-88-4
Molecular Formula:
C14H21O4P
Molecular Weight:
284.2879
IUPAC Name:
4-diethoxyphosphoryl-4-phenylbutan-2-one
InChI:
InChI=1S/C14H21O4P/c1-4-17-19(16,18-5-2)14(11-12(3)15)13-9-7-6-8-10-13/h6-10,14H,4-5,11H2,1-3H3
InChI Key:
FTFGLHJAGOXIAG-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(c1ccccc1)CC(=O)C)OCC
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.118g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.292g/mol
Monoisotopic Mass:
284.118g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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