(3-Phosphonophenyl)phosphonic acid - CAS 78271-46-2
Catalog: |
BB043508 |
Product Name: |
(3-Phosphonophenyl)phosphonic acid |
CAS: |
78271-46-2 |
Synonyms: |
m-Phenylenebisphosphonic acid; SCHEMBL6262029; DA-00001; FT-0702197 |
IUPAC Name: | (3-phosphonophenyl)phosphonic acid |
Description: | (3-Phosphonophenyl)phosphonic acid (CAS# 78271-46-2 ) is a useful research chemical. |
Molecular Weight: | 238.07 |
Molecular Formula: | C6H8O6P2 |
Canonical SMILES: | C1=CC(=CC(=C1)P(=O)(O)O)P(=O)(O)O |
InChI: | InChI=1S/C6H8O6P2/c7-13(8,9)5-2-1-3-6(4-5)14(10,11)12/h1-4H,(H2,7,8,9)(H2,10,11,12) |
InChI Key: | DKEPDLAWUAPAJZ-UHFFFAOYSA-N |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.97961197 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.97961197 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 115 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.4 |
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