1,3-Benzenedicarboxylic acid, 5-phosphono-
Basic information
- CAS
25062-54-8- Standard SMILES
O=C(O)c1cc(C(=O)O)cc(P(=O)(O)O)c1- InChIKey
INJNMXHKFWFNLW-UHFFFAOYSA-N- Molecular formula
- C8H7O7P
- Average molar mass
- 246.11 g/mol
- Monoisotopic mass
- 245.99293956
Names & identifiers
- Preferred name
- 1,3-Benzenedicarboxylic acid, 5-phosphono-
- IUPAC
- 5-phosphonobenzene-1,3-dicarboxylic acid
- English name
- 5-phosphonoisophthalic acid
- Molecular formula
- C8H7O7P
- Molecular weight
- 246.11
Names & synonyms
25062-54-81,3-Benzenedicarboxylic acid, 5-phosphono-DTXSID30430811RefChem:217773DTXCID003816445-phosphonobenzene-1,3-dicarboxylic Acid3,5-dicarboxyphenylphosphonic acidC8H7O7PSCHEMBL563506orb3214027MFCD30730230AKOS037621739
Show more names
5-phosphonoisophthalic acid
Database identifiers
- CAS
25062-54-8- PubChem CID
- 9794850
- DTXSID
DTXSID30430811- Nikkaji
- J665.771K
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Boiling point
- 669.5 · 669.5±65.0 °C(Predicted)
- Density
- 1.85 · 1.85±0.1 g/cm3(Predicted)
- pka
- 1.29 · 1.29±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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