Camphoric acid

C10H16O4CAS 560-09-8200.23 g/mol

Open in Covalent MOL file
OOHOOH
Carboxylic acid

Properties

Molecular formula
C10H16O4
Molar mass
200.23 g/mol
Exact mass
200.1049 Da
Melting point
181–182 °C
logP
1.60Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
R, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
560-09-8
SMILES
CC1(C)[C@H](C(=O)O)CC[C@]1(C)C(=O)O
InChIKey
LSPHULWDVZXLIL-QUBYGPBYSA-N
InChI
InChI=1S/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t6-,10+/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • Camphoric acid, (-)-
  • 1,3-Cyclopentanedicarboxylic acid, 1,2,2-trimethyl-, (1S,3R)-
  • Camphoric acid, cis-(-)-
  • 1,3-Cyclopentanedicarboxylic acid, 1,2,2-trimethyl-, (1S-cis)-
  • (1S,3R)-1,2,2-Trimethyl-1,3-cyclopentanedicarboxylic acid
  • (-)-cis-Camphoric acid
  • (-)-Camphoric acid
  • (1S,3R)-(-)-Camphoric acid
  • (1S,3R)-Camphoric acid
  • L-Camphoric acid
  • (1S,3R)-1,2,2-Trimethylcyclopentane-1,3-dicarboxylic acid

Work with Camphoric 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.

d-Camphoric acid124-83-4Enantiomer

Similar compounds

Camphoroquinone10334-26-647 % similar Bornane-2,3-dione10373-78-147 % similar (+)-Camphorquinone2767-84-247 % similar Camphorquinone465-29-247 % similar 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione595-30-244 % similar 1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione76-32-444 % similar 2,2-Dimethyl cyclopropyl carboxylic acid75885-59-542 % similar 2,2,3,3-Tetramethylcyclopropanecarboxylic acid15641-58-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(2-Oxiranylmethoxy)butyl 2-propenoate119692-59-0 3,3,6,6-Tetramethoxycyclohexa-1,4-diene15791-03-4 1,4-Cyclohexanedione bis(ethylene ketal)183-97-1 Diethyl allylmalonate2049-80-1 1,4-Dipropyl (2Z)-2-butenedioate2432-63-5 Ethyl 4-acetyl-5-oxohexanoate2832-10-2 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-2

Elsewhere

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