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113847-99-7 | Phosphonic acid, (4-hydroxy-2-oxo-4-phenylbutyl)-, diethyl ester (9CI)
CAS No: 113847-99-7 Catalog No: AG0009WI MDL No:
Product Description
Catalog Number:
AG0009WI
Chemical Name:
Phosphonic acid, (4-hydroxy-2-oxo-4-phenylbutyl)-, diethyl ester (9CI)
CAS Number:
113847-99-7
Molecular Formula:
C14H21O5P
Molecular Weight:
300.2873
IUPAC Name:
1-diethoxyphosphoryl-4-hydroxy-4-phenylbutan-2-one
InChI:
InChI=1S/C14H21O5P/c1-3-18-20(17,19-4-2)11-13(15)10-14(16)12-8-6-5-7-9-12/h5-9,14,16H,3-4,10-11H2,1-2H3
InChI Key:
PZGPHVQDUFPFNU-UHFFFAOYSA-N
SMILES:
CCOP(=O)(CC(=O)CC(c1ccccc1)O)OCC
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.113g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.291g/mol
Monoisotopic Mass:
300.113g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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