Basic information
- CAS
69485-43-4- Standard SMILES
CCc1ccc(C)c2ccc(C=O)c-2c1- InChIKey
XFHWXYVBANNUFH-UHFFFAOYSA-N- Molecular formula
- C14H14O
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.10446507
Overview
1-Azulenecarboxaldehyde, 7-ethyl-4-methyl- has been reported in Matricaria chamomilla with data available.
Names & identifiers
- Preferred name
- 1-Azulenecarboxaldehyde, 7-ethyl-4-methyl-
- IUPAC
- 7-ethyl-4-methylazulene-1-carbaldehyde
Names & synonyms
1-Azulenecarboxaldehyde, 7-ethyl-4-methyl-69485-43-4Chamaviolin7-ethyl-4-methylazulene-1-carbaldehydeDTXSID70219708
Database identifiers
- CAS
69485-43-4- PubChem CID
- 155308
- DTXSID
DTXSID70219708
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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