chempirical

Ammonium phthalate

C8H12N2O4CAS 523-24-0200.19 g/mol

Open in Covalent MOL file
NH3NH3OHOOOH
Carboxylic acid

Properties

Molecular formula
C8H12N2O4
Molar mass
200.19 g/mol
Exact mass
200.0797 Da
logP
1.41Crippen estimate
Polar surface area
144.6 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
2

Identifiers

CAS number
523-24-0
SMILES
N.N.O=C(O)c1ccccc1C(=O)O
InChIKey
CHCFOMQHQIQBLZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6O4.2H3N/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);2*1H3

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Names and synonyms

3 names
  • 1,2-Benzenedicarboxylic acid, ammonium salt (1:2)
  • 1,2-Benzenedicarboxylic acid, diammonium salt
  • Diammonium phthalate

Work with Ammonium phthalate

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

Phthalic acid88-99-385 % similar Ammonium salicylate528-94-973 % similar Phthalamic acid88-97-165 % similar Ammonium benzoate1863-63-464 % similar 2-Acetylbenzoic acid577-56-063 % similar Salicylic acid69-72-762 % similar 2-Bromobenzoic acid88-65-362 % similar Ammonium o-carboxybenzenesulfonate6939-89-561 % similar

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

Same formula

Dihydroxyethylenebis(acrylamide)868-63-3

Elsewhere

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