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13817-79-3 | Phosphonic acid, P,P'-[1,1'-biphenyl]-4,4'-diylbis-
CAS No: 13817-79-3 Catalog No: AG00184B MDL No:MFCD00968649
Product Description
Catalog Number:
AG00184B
Chemical Name:
Phosphonic acid, P,P'-[1,1'-biphenyl]-4,4'-diylbis-
CAS Number:
13817-79-3
Molecular Formula:
C12H12O6P2
Molecular Weight:
314.1676
MDL Number:
MFCD00968649
IUPAC Name:
[4-(4-phosphonophenyl)phenyl]phosphonic acid
InChI:
InChI=1S/C12H12O6P2/c13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,17)18/h1-8H,(H2,13,14,15)(H2,16,17,18)
InChI Key:
QWSZMKCGMDROKE-UHFFFAOYSA-N
SMILES:
OP(=O)(c1ccc(cc1)c1ccc(cc1)P(=O)(O)O)O
NSC Number:
129448
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.011g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
314.17g/mol
Monoisotopic Mass:
314.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| The hydrothermal and structural chemistry of oxovanadium-arylphosphonate networks and frameworks. | Inorganic chemistry 20090202 |
| Hydrogen-bonded network in biphenyl-4,4'-diphosphonic acid. | Acta crystallographica. Section C, Crystal structure communications 20070701 |
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