Basic information
- CAS
38337-21-2- Standard SMILES
O=Cc1cc(C=O)c2cccccc1-2- InChIKey
XFOPUARCKUPXFN-UHFFFAOYSA-N- Molecular formula
- C12H8O2
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.0524295
Names & identifiers
- Preferred name
- 1,3-Azulenedicarboxaldehyde
- IUPAC
- azulene-1,3-dicarbaldehyde
Names & synonyms
1,3-Azulenedicarboxaldehyde38337-21-2DTXSID70450412RefChem:217704DTXCID20401232Azulene-1,3-dicarbaldehyde1,3-DiformylazuleneSCHEMBL5711167XFOPUARCKUPXFN-UHFFFAOYSA-N
Database identifiers
- CAS
38337-21-2- PubChem CID
- 10976152
- DTXSID
DTXSID70450412- Nikkaji
- J718.938I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Related reactions
3 records
Compound notes
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