chempirical

Nortricyclenone-3

C7H8OCAS 695-05-6108.14 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C7H8O
Molar mass
108.14 g/mol
Exact mass
108.0575 Da
logP
0.84Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
695-05-6
SMILES
C1C2CC3C1C3C2=O
InChIKey
ITDQUAQMICQLER-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O/c8-7-3-1-4-5(2-3)6(4)7/h3-6H,1-2H2

Weigh it out

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

Names and synonyms

6 names
  • Tricyclo[2.2.1.02,6]heptan-3-one
  • Nortricyclanone
  • Tricyclo[2.2.1.0,2,6]heptan-3-one
  • Nortricyclone
  • Tricyclo(2.2.1.02,6)heptan-3-one
  • anti-3-Oxotricyclo[2.2.1.02,6]heptane-7-carboxylic acid

Work with Nortricyclenone-3

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

Adamantanone700-58-355 % similar Dicyclopropyl ketone1121-37-540 % similar 4-Hydroxyadamantan-2-one26278-43-335 % similar Cyclohexyl ketone119-60-835 % similar 5-Hydroxy-2-adamantanone20098-14-030 % similar 5-Chloro-2-adamantanone20098-17-330 % 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 (+/-)-cis-Bicyclo[3.2.0]hept-2-en-6-one13173-09-6 O-Cresol-D8203645-65-2 O-Cresol95-48-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook