(1alpha,5alpha,6beta)-Bicyclo(3.1.0)hex-2-ene-6-carbaldehyde

HCID 98943

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Basic information

CAS: 4729-05-9
Standard SMILES: O=CC1C2C=CCC12
InChIKey: DVZTVIVLAFIUFZ-UHFFFAOYSA-N
Molecular formula: C7H8O
Average molar mass: 108.14 g/mol
Monoisotopic mass: 108.05751487

Names & identifiers

Preferred name: (1alpha,5alpha,6beta)-Bicyclo(3.1.0)hex-2-ene-6-carbaldehyde
IUPAC: bicyclo[3.1.0]hex-2-ene-6-carbaldehyde

Names & synonyms

4729-05-9EINECS 225-231-6NSC 149766(1alpha,5alpha,6beta)-Bicyclo(3.1.0)hex-2-ene-6-carbaldehyde(1alpha,5alpha,6beta)-bicyclo[3.1.0]hex-2-ene-6-carbaldehydeRefChem:204775225-231-6bicyclo[3.1.0]hex-2-ene-6-carbaldehydeNSC149766SCHEMBL5510099ENDO-BICYCLO[3.1.0]HEX-2-ENE-6-CARBOXALDEHYDEDTXSID00963787

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NSC-149766

Database identifiers

CAS: 4729-05-9
PubChem CID: 98943
DTXSID: DTXSID00963787
EC Number: 225-231-6

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 148

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