Benz[a]azulene

HCID 601271

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Basic information

CAS: 246-02-6
Standard SMILES: c1ccc2cc3ccccc3c-2cc1
InChIKey: BMZTYILRNHCUBV-UHFFFAOYSA-N
Molecular formula: C14H10
Average molar mass: 178.23 g/mol
Monoisotopic mass: 178.07825032

Names & identifiers

Preferred name: Benz[a]azulene
IUPAC: benzo[a]azulene

Names & synonyms

Benz[a]azuleneBenz(a)azulene246-02-6DTXSID90345033RefChem:321050DTXCID40296107BMZTYILRNHCUBV-UHFFFAOYSA-NBenzo[a]azuleneBenz[a]azulencyclohepta[a]indeneBenzo[a]azulene #SCHEMBL2543830

Show more names

SCHEMBL6537041SCHEMBL6537119AKOS015905480

Database identifiers

CAS: 246-02-6
PubChem CID: 601271
DTXSID: DTXSID90345033
Nikkaji: J656.337F

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 196

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Compound notes

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