chempirical

(+)-Camphanic acid

C10H14O4CAS 67111-66-4198.22 g/mol

Open in Covalent MOL file
OOOOH
Carboxylic acidEsterLactone

Properties

Molecular formula
C10H14O4
Molar mass
198.22 g/mol
Exact mass
198.0892 Da
logP
1.19Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
S, Rin SMILES atom order

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
67111-66-4
SMILES
C[C@]12CC[C@](C1(C)C)(OC2=O)C(=O)O
InChIKey
KPWKPGFLZGMMFX-ZJUUUORDSA-N
InChI
InChI=1S/C10H14O4/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3,(H,11,12)/t9-,10+/m1/s1

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Names and synonyms

1 names
  • (1R)-(+)-Camphanic acid

Work with (+)-Camphanic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid13429-83-9Enantiomer

Similar compounds

(+)-Camphanic acid chloride104530-16-762 % similar 3-Oxa-2-oxobornane-4-carbonyl chloride39637-74-662 % similar 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid5471-77-240 % similar 1,1-Cyclopropanedicarboxylic acid monomethyl ester113020-21-638 % similar 1-Boc-4-methylpiperidine-4-carboxylic acid189321-63-938 % similar 1-Methyl bicyclo[2.2.2]octane-1,4-dicarboxylate18720-35-938 % similar 1-[(tert-Butoxycarbonyl)amino]cyclopropanecarboxylic acid88950-64-537 % similar 1-Methylcyclopropanecarboxylic acid6914-76-737 % similar

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

Same formula

1,3-Bis(2-hydroxyethoxy)benzene102-40-9 Hydroquinone bis(2-hydroxyethyl) ether104-38-1 1,4-Butylene glycol diacrylate1070-70-8 4-Butyroxy-2,5-dimethyl-3(2H)-furanone114099-96-6 Polyethylene glycol dimethacrylate25852-47-5 3,4,5-Trimethoxybenzyl alcohol3840-31-1 2,3,4-Trimethoxy-6-methylphenol39068-88-7

Elsewhere

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