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10085-21-9 | Diphosphonic acid, P,P'-dimethyl ester
CAS No: 10085-21-9 Catalog No: AG00030V MDL No:
Product Description
Catalog Number:
AG00030V
Chemical Name:
Diphosphonic acid, P,P'-dimethyl ester
CAS Number:
10085-21-9
Molecular Formula:
C2H8O5P2
Molecular Weight:
174.0294
IUPAC Name:
methoxy-[methoxy(oxo)phosphaniumyl]oxy-oxophosphanium
InChI:
InChI=1S/C2H6O5P2/c1-5-8(3)7-9(4)6-2/h1-2H3/q+2
InChI Key:
AIEHCJRDOJPKGO-UHFFFAOYSA-N
SMILES:
COP(=O)OP(=O)OC
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.969g/mol
Formal Charge:
2
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.013g/mol
Monoisotopic Mass:
171.969g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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