Bicyclo(4.1.0)hepta-1,3,5-triene

C₇H₆CAS 4646-69-990.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆
Molar mass: 90.12 g/mol
Exact mass: 90.0470 Da
logP: 1.59Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

4646-69-9

SMILES

C1C2=CC=CC=C21

InChIKey

AMSMVCOBCOZLEE-UHFFFAOYSA-N

InChI

InChI=1S/C7H6/c1-2-4-7-5-6(7)3-1/h1-4H,5H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Bicyclo[4.1.0]hepta-1,3,5-triene
1,3,5-Norcaratriene
Cyclopropabenzene
Benzocyclopropene
Bicyclo[4.1.0]hepta-1,3,5-trien

Work with Bicyclo(4.1.0)hepta-1,3,5-triene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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