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123444-56-4 | Phosphonic acid, P-(2-oxo-6-hepten-1-yl)-, diethyl ester
CAS No: 123444-56-4 Catalog No: AG000KLC MDL No:
Product Description
Catalog Number:
AG000KLC
Chemical Name:
Phosphonic acid, P-(2-oxo-6-hepten-1-yl)-, diethyl ester
CAS Number:
123444-56-4
Molecular Formula:
C11H21O4P
Molecular Weight:
248.2558
IUPAC Name:
1-diethoxyphosphorylhept-6-en-2-one
InChI:
InChI=1S/C11H21O4P/c1-4-7-8-9-11(12)10-16(13,14-5-2)15-6-3/h4H,1,5-10H2,2-3H3
InChI Key:
ZMPBHMRPTVAUHT-UHFFFAOYSA-N
SMILES:
C=CCCCC(=O)CP(=O)(OCC)OCC
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.118g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.259g/mol
Monoisotopic Mass:
248.118g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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