chempirical

Bicyclo[2.2.1]heptane-2-carboxylic acid

C8H12O2CAS 824-62-4140.18 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C8H12O2
Molar mass
140.18 g/mol
Exact mass
140.0837 Da
Melting point
221–222 °C (sublimes)
Boiling point
125–127 °C (at 13 Torr)
logP
1.51Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
824-62-4
SMILES
O=C(O)C1CC2CCC1C2
InChIKey
JESWDXIHOJGWBP-UHFFFAOYSA-N
InChI
InChI=1S/C8H12O2/c9-8(10)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H,9,10)

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

Names and synonyms

2 names
  • 2-Norbornanecarboxylic acid
  • 2-Norcamphanecarboxylic acid

Work with Bicyclo[2.2.1]heptane-2-carboxylic acid

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

(±)-trans-1,2-Cyclobutanedicarboxylic acid1124-13-652 % similar Bicyclo[2.2.1]heptane-2-acetic acid1007-01-848 % similar trans-1,2-Cyclopentanedicarboxylic acid1461-97-848 % similar 1,2-Cyclohexanedicarboxylic acid1687-30-548 % similar (±)-trans-1,2-Cyclohexanedicarboxylic acid2305-32-048 % similar cis-1,2-Cyclohexanedicarboxylic acid610-09-348 % similar Rel-(1R,2R,3S,4S)-1,2,3,4-cyclopentanetetracarboxylic acid3786-91-246 % similar L-Cyclopropylalanine102735-53-545 % similar

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

Same formula

Vinylcyclohexene dioxide106-87-6 Dimedone126-81-8 1-Cyclohexenyl acetate1424-22-2 2,4-Hexadienyl acetate1516-17-2 1-Cyclohexene-1-acetic acid18294-87-6 Methyl 1-cyclohexene-1-carboxylate18448-47-0 Ethyl cyclopent-3-enecarboxylate21622-01-5 Ethyl sorbate2396-84-1

Elsewhere

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