Basic information
- CAS
3786-59-2- Standard SMILES
CCOC(=O)c1c2cccccc-2c(C#N)c1O- InChIKey
VMDVGKVVEKUNRQ-UHFFFAOYSA-N- Molecular formula
- C14H11NO3
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.07389321
Names & identifiers
- Preferred name
- Ethyl 3-cyano-2-hydroxy-azulene-1-carboxylate
- IUPAC
- ethyl 3-cyano-2-hydroxyazulene-1-carboxylate
Names & synonyms
3786-59-2ethyl 3-cyano-2-hydroxyazulene-1-carboxylateETHYL 3-CYANO-2-HYDROXY-AZULENE-1-CARBOXYLATENSC225265DTXSID30310326NSC-225265
Database identifiers
- CAS
3786-59-2- PubChem CID
- 312937
- DTXSID
DTXSID30310326- Nikkaji
- J3.553.852F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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