9,10-Dihydro-9,10-ethanoanthracene-11-carbonitrile
Basic information
- CAS
3008-09-1- Standard SMILES
N#CC1CC2c3ccccc3C1c1ccccc12- InChIKey
XPVVUQSODGYUPA-UHFFFAOYSA-N- Molecular formula
- C17H13N
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.10479942
Names & identifiers
- Preferred name
- 9,10-Dihydro-9,10-ethanoanthracene-11-carbonitrile
- IUPAC
- tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonitrile
- English name
- 9,10-Ethanoanthracene-11-carbonitrile, 9,10-dihydro-
- Molecular formula
- C17H13N
- Molecular weight
- 231.29
Names & synonyms
9,10-dihydro-9,10-ethanoanthracene-11-carbonitrile3008-09-1tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonitrileNSC46417Oprea1_471927SCHEMBL11550468XPVVUQSODGYUPA-UHFFFAOYSA-N11-CYANOMETHYL-9,10-DIHYDRO-9,10-ETHANOANTHRACENEMFCD02625827NSC-46417AKOS003287442SY576047
Show more names
9,10-Ethanoanthracene-11-carbonitrile, 9,10-dihydro-
ST5042900311-cyano-9,10-dihydro-9,10-ethanoanthracene11-cyano-9,10-dihydro-9,10-ethano-anthracene
Database identifiers
- CAS
3008-09-1- PubChem CID
- 240306
- Nikkaji
- J275.777J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Melting point
- 109.5 · 109.5-112 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 415.5 · 415.5±45.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
Related reactions
6 records
Compound notes
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