2-(1H-Benzo[d]imidazol-2-yl)-2-oxoacetic acid
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Basic information
- CAS
399004-90-1- Standard SMILES
O=C(O)C(=O)c1nc2ccccc2[nH]1- InChIKey
UKQJEQZOFFQAQL-UHFFFAOYSA-N- Molecular formula
- C9H6N2O3
- Average molar mass
- 190.16 g/mol
- Monoisotopic mass
- 190.03784206
Names & identifiers
- Preferred name
- 2-(1H-Benzo[d]imidazol-2-yl)-2-oxoacetic acid
- IUPAC
- 2-(1H-benzimidazol-2-yl)-2-oxoacetic acid
- English name
- 1H-Benzimidazole-2-aceticacid,alpha-oxo-(9CI)
- Molecular formula
- C9H6N2O3
- Molecular weight
- 190.16
Names & synonyms
399004-90-12-(1H-Benzo[d]imidazol-2-yl)-2-oxoacetic acidSCHEMBL14728852-benzimidazol-2-yl-2-oxoacetic acidAKOS002162382ST500370151H-Benzimidazole-2-acetic acid, α-oxo-1H-Benzimidazole-2-aceticacid,alpha-oxo-(9CI)
Database identifiers
- CAS
399004-90-1- PubChem CID
- 3508535
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Boiling point
- 487.5 · 487.5±28.0 °C(Predicted)
- Density
- 1.568 · 1.568±0.06 g/cm3(Predicted)
- pka
- 0.76 · 0.76±0.54(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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