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114438-35-6 | Acetic acid, 2,2-diphosphono-, 1-ethyl ester
CAS No: 114438-35-6 Catalog No: AG000EE6 MDL No:
Product Description
Catalog Number:
AG000EE6
Chemical Name:
Acetic acid, 2,2-diphosphono-, 1-ethyl ester
CAS Number:
114438-35-6
Molecular Formula:
C4H10O8P2
Molecular Weight:
248.0649
IUPAC Name:
(2-ethoxy-2-oxo-1-phosphonoethyl)phosphonic acid
InChI:
InChI=1S/C4H10O8P2/c1-2-12-3(5)4(13(6,7)8)14(9,10)11/h4H,2H2,1H3,(H2,6,7,8)(H2,9,10,11)
InChI Key:
AULGFYDANADKBV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(P(=O)(O)O)P(=O)(O)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.985g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
248.064g/mol
Monoisotopic Mass:
247.985g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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