Basic information
- CAS
17647-77-7- Standard SMILES
Cc1ccccc2cccc1-2- InChIKey
RVJUDUADOMIBMH-UHFFFAOYSA-N- Molecular formula
- C11H10
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.07825032
Names & identifiers
- Preferred name
- 4-Methylazulene
- IUPAC
- 4-methylazulene
Names & synonyms
4-Methylazulene17647-77-7DTXSID90170140RefChem:99840DTXCID8092631Azulene,4-methyl-4-Methyl-azulenSCHEMBL714181SCHEMBL27500515SCHEMBL30612770
Database identifiers
- CAS
17647-77-7- PubChem CID
- 140263
- DTXSID
DTXSID90170140- Nikkaji
- J456.036A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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