(+/-)-cis-Bicyclo[3.2.0]hept-2-en-6-one

C7H8OCAS 13173-09-6108.14 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C7H8O
Molar mass
108.14 g/mol
Exact mass
108.0575 Da
logP
1.15Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
13173-09-6
SMILES
C1C=CC2C1C(=O)C2
InChIKey
LNLLHUHPGPKRBM-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O/c8-7-4-5-2-1-3-6(5)7/h1-2,5-6H,3-4H2

Weigh it out

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

Names and synonyms

1 names
  • Bicyclo(3.2.0)hept-2-en-6-one

Work with (+/-)-cis-Bicyclo[3.2.0]hept-2-en-6-one

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

(3aR,6aS)-3,3a,6,6a-tetrahydro-2H-cyclopenta(b)furan-2-one43119-28-441 % similar 7,7-Dichlorobicyclo[3.2.0]hept-2-en-6-one5307-99-335 % similar Rel-(1R,2S)-4-Cyclohexene-1,2-dicarboxylic acid2305-26-234 % similar 1,2,3,6-Tetrahydrophthalic anhydride85-43-834 % similar Tetrahydrophthalic anhydride935-79-534 % similar 3-Methyltetrahydrophthalic anhydride5333-84-632 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzyl alcohol100-51-6 Anisole100-66-3 P-Cresol106-44-5 M-Cresol108-39-4 O-Cresol-D8203645-65-2 Nortricyclenone-3695-05-6 O-Cresol95-48-7

Elsewhere

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