chempirical

Fosfosal

C7H7O6PCAS 6064-83-1218.10 g/mol

Open in Covalent MOL file
OHOOPOHOOH
Carboxylic acidPhosphate

Properties

Molecular formula
C7H7O6P
Molar mass
218.10 g/mol
Exact mass
217.9980 Da
Melting point
169 °C
logP
0.86Crippen estimate
Polar surface area
104.1 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Identifiers

CAS number
6064-83-1
SMILES
O=C(O)c1ccccc1OP(=O)(O)O
InChIKey
FFKUDWZICMJVPA-UHFFFAOYSA-N
InChI
InChI=1S/C7H7O6P/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • Benzoic acid, 2-(phosphonooxy)-
  • Salicylic acid, dihydrogen phosphate
  • Salicylic acid, phosphate
  • 2-(Phosphonooxy)benzoic acid
  • o-Carboxyphenyl phosphate
  • Salicyl phosphate
  • 2-Carboxyphenyl dihydrogen phosphate
  • Phosphoric acid o-carboxyphenyl ester
  • UR 1522
  • UR 1521
  • Disdolen
  • 2-Phosphonoxybenzoic acid
  • NSC 46475

Work with Fosfosal

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

O-Anisic acid579-75-956 % similar 2-Phenoxybenzoic acid2243-42-754 % similar Phthalic acid88-99-352 % similar 2-Ethoxybenzoic acid134-11-251 % similar Aspirin50-78-251 % similar 1-Naphthyl phosphate1136-89-650 % similar 2-(Benzyloxy)benzoic acid14389-86-750 % similar 2-(Carboxymethoxy)benzoic acid635-53-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook