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141903-39-1

141903-39-1 | Phosphonic acid, (3,3-dimethoxy-2-oxobutyl)-, dimethyl ester (9CI)

CAS No: 141903-39-1 Catalog No: AG001HC3 MDL No:

Product Description

Catalog Number:
AG001HC3
Chemical Name:
Phosphonic acid, (3,3-dimethoxy-2-oxobutyl)-, dimethyl ester (9CI)
CAS Number:
141903-39-1
Molecular Formula:
C8H17O6P
Molecular Weight:
240.1907
IUPAC Name:
1-dimethoxyphosphoryl-3,3-dimethoxybutan-2-one
InChI:
InChI=1S/C8H17O6P/c1-8(11-2,12-3)7(9)6-15(10,13-4)14-5/h6H2,1-5H3
InChI Key:
DSRQAAJRGYUVKW-UHFFFAOYSA-N
SMILES:
COP(=O)(CC(=O)C(OC)(OC)C)OC

Properties

Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.076g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.192g/mol
Monoisotopic Mass:
240.076g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  

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