(+)-Camphanic acid

C10H14O4CAS 67111-66-4198.22 g/mol

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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.

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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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