Basic information
- CAS
160532-38-7- Standard SMILES
CC1=NC(C(=O)O)C=NC1C- InChIKey
HPGQHSJSJWLFCV-UHFFFAOYSA-N- Molecular formula
- C7H10N2O2
- Average molar mass
- 154.17 g/mol
- Monoisotopic mass
- 154.07422757
Names & identifiers
- Preferred name
- 5,6-Dimethyl-2,5-dihydropyrazine-2-carboxylic acid
- IUPAC
- 5,6-dimethyl-2,5-dihydropyrazine-2-carboxylic acid
- English name
- Pyrazinecarboxylic acid, 2,5-dihydro-5,6-dimethyl- (9CI)
- Molecular formula
- C7H10N2O2
- Molecular weight
- 154.17
Names & synonyms
160532-38-75,6-Dimethyl-2,5-dihydropyrazine-2-carboxylic acidDTXSID806650955,6-Dimethyl-2,5-dihydropyrazine-2-carboxylicacid2-Pyrazinecarboxylic acid, 2,5-dihydro-5,6-dimethyl-Pyrazinecarboxylic acid, 2,5-dihydro-5,6-dimethyl- (9CI)
Database identifiers
- CAS
160532-38-7- PubChem CID
- 45082102
- DTXSID
DTXSID80665095
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Boiling point
- 335.4 · 335.4±42.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 0.09 · 0.09±0.60(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…