Basic information
- CAS
182301-56-0- Standard SMILES
O=C(O)C1C=CNC=C1- InChIKey
KMEQEVKQSUNMCH-UHFFFAOYSA-N- Molecular formula
- C6H7NO2
- Average molar mass
- 125.13 g/mol
- Monoisotopic mass
- 125.04767847
Names & identifiers
- Preferred name
- 1,4-Dihydropyridine-4-carboxylic acid
- IUPAC
- 1,4-dihydropyridine-4-carboxylic acid
- English name
- 4-Pyridinecarboxylicacid,1,4-dihydro-(9CI)
- Molecular formula
- C6H7NO2
- Molecular weight
- 125.12528
Names & synonyms
1,4-Dihydropyridine-4-carboxylic acid182301-56-0DTXSID10580060RefChem:220564DTXCID305308254-Pyridinecarboxylicacid,1,4-dihydro-(9CI)SCHEMBL11257192DB-2727574-PYRIDINECARBOXYLIC ACID, 1,4-DIHYDRO-
Database identifiers
- CAS
182301-56-0- PubChem CID
- 15944656
- DTXSID
DTXSID10580060- Nikkaji
- J1.554.364G
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 160
Chemistry & industry
Suppliers2 total
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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