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88972-22-9 | Phosphonic acid, (1-ethoxy-3-oxobutyl)-, dimethyl ester
CAS No: 88972-22-9 Catalog No: AG0045XM MDL No:
Product Description
Catalog Number:
AG0045XM
Chemical Name:
Phosphonic acid, (1-ethoxy-3-oxobutyl)-, dimethyl ester
CAS Number:
88972-22-9
Molecular Formula:
C8H17O5P
Molecular Weight:
224.1913
IUPAC Name:
4-dimethoxyphosphoryl-4-ethoxybutan-2-one
InChI:
InChI=1S/C8H17O5P/c1-5-13-8(6-7(2)9)14(10,11-3)12-4/h8H,5-6H2,1-4H3
InChI Key:
ULEXJAXTBVJYQY-UHFFFAOYSA-N
SMILES:
CCOC(P(=O)(OC)OC)CC(=O)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.081g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.193g/mol
Monoisotopic Mass:
224.081g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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