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14561-25-2 | Phosphonic acid, [2-oxo-1-(phenylmethylene)propyl]-, diethyl ester (9CI)
CAS No: 14561-25-2 Catalog No: AG001D8M MDL No:
Product Description
Catalog Number:
AG001D8M
Chemical Name:
Phosphonic acid, [2-oxo-1-(phenylmethylene)propyl]-, diethyl ester (9CI)
CAS Number:
14561-25-2
Molecular Formula:
C14H19O4P
Molecular Weight:
282.2720
IUPAC Name:
3-diethoxyphosphoryl-4-phenylbut-3-en-2-one
InChI:
InChI=1S/C14H19O4P/c1-4-17-19(16,18-5-2)14(12(3)15)11-13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3
InChI Key:
AKIXPISBTBDMKW-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(=Cc1ccccc1)C(=O)C)OCC
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.102g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.276g/mol
Monoisotopic Mass:
282.102g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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