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126688-00-4 | Phosphonic acid, (1-methyl-2-oxo-3-phenylpropyl)-, diethyl ester (9CI)
CAS No: 126688-00-4 Catalog No: AG000T3S MDL No:
Product Description
Catalog Number:
AG000T3S
Chemical Name:
Phosphonic acid, (1-methyl-2-oxo-3-phenylpropyl)-, diethyl ester (9CI)
CAS Number:
126688-00-4
Molecular Formula:
C14H21O4P
Molecular Weight:
284.2879
IUPAC Name:
3-diethoxyphosphoryl-1-phenylbutan-2-one
InChI:
InChI=1S/C14H21O4P/c1-4-17-19(16,18-5-2)12(3)14(15)11-13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3
InChI Key:
VREZKOSVEJXJML-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(C(=O)Cc1ccccc1)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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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