3-Phenylbicyclo[2.2.2]octa-2,5-diene-2-carbaldehyde

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Basic information

CAS: 62373-92-6
Standard SMILES: O=CC1=C(c2ccccc2)C2C=CC1CC2
InChIKey: OTGGDDJIAQVWII-UHFFFAOYSA-N
Molecular formula: C15H14O
Average molar mass: 210.27 g/mol
Monoisotopic mass: 210.10446507

Names & identifiers

Preferred name: 3-Phenylbicyclo[2.2.2]octa-2,5-diene-2-carbaldehyde
IUPAC: 3-phenylbicyclo[2.2.2]octa-2,5-diene-2-carbaldehyde

Names & synonyms

3-Phenylbicyclo[2.2.2]octa-2,5-diene-2-carbaldehyde62373-92-6SCHEMBL10735278DTXSID60603157OTGGDDJIAQVWII-UHFFFAOYSA-N3-Formyl-2-phenylbicyclo[2,2,2]octa-2,5-diene

Database identifiers

CAS: 62373-92-6
PubChem CID: 20161594
DTXSID: DTXSID60603157

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 344

Related reactions

1 records

New reaction record

HRID 247107As reactantuspto-grants-1987_11

Compound notes

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