Einecs 305-816-3
Basic information
- CAS
95046-29-0- Standard SMILES
O=C(O)c1ccccc1C(c1ccc(OP(=O)(O)O)cc1)c1ccc(OP(=O)(O)O)cc1.c1ccncc1- InChIKey
FYYDGRSNKFKRCT-UHFFFAOYSA-N- Molecular formula
- C25H23NO10P2
- Average molar mass
- 559.4 g/mol
- Monoisotopic mass
- 559.07971993
Names & identifiers
- Preferred name
- Einecs 305-816-3
- IUPAC
- 2-[bis(4-phosphonooxyphenyl)methyl]benzoic acid;pyridine
Names & synonyms
EINECS 305-816-395046-29-02-(Bis(4-(phosphonooxy)phenyl)methyl)benzoic acid, compound with pyridine (1:1)DTXSID609151412-{Bis[4-(phosphonooxy)phenyl]methyl}benzoic acid--pyridine (1/1)
Database identifiers
- CAS
95046-29-0- PubChem CID
- 44147262
- DTXSID
DTXSID60915141- EC Number
- 305-816-3
Properties
Computed structural properties
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 705
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Related reactions
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Compound notes
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