Basic information
- CAS
38310-40-6- Standard SMILES
C1=CC=C2C=CC3C=CC(=C1)C23- InChIKey
HXHFTTRCEKEWIZ-UHFFFAOYSA-N- Molecular formula
- C12H10
- Average molar mass
- 154.21 g/mol
- Monoisotopic mass
- 154.07825032
Names & identifiers
- Preferred name
- Cyclopent(cd)azulene, 2a,8b-dihydro-
- IUPAC
- tricyclo[5.4.1.04,12]dodeca-1(11),2,5,7,9-pentaene
- English name
- 2a,8b-Dihydrocyclopent[cd]azulene
- Molecular formula
- C12H10
- Molecular weight
- 154.21
Names & synonyms
Elassovalene38310-40-6Cyclopent(cd)azulene, 2a,8b-dihydro-5HK24EQ36P2a,8b-Dihydrocyclopent(cd)azuleneCyclopent[cd]azulene, 2a,8b-dihydro-Cyclopent[cd]azulene,2a,8b-dihydro-UNII-5HK24EQ36PDTXSID601916802a,8b-Dihydrocyclopenta[cd]azulene2a,2a1-dihydrocyclopenta[cd]azulene2a,8b-Dihydrocyclopent[cd]azulene
Database identifiers
- CAS
38310-40-6- PubChem CID
- 142246
- DTXSID
DTXSID60191680- UNII
- 5HK24EQ36P
- Nikkaji
- J17.554D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- FDA UNII
- 5 HK24EQ36P · 5HK24EQ36P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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