(1R,2R)-(-)-1,2-Cyclohexanedicarboxylic acid
Properties
- Molecular formula
- C8H12O4
- Molar mass
- 172.18 g/mol
- Exact mass
- 172.0736 Da
- logP
- 0.96Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
- Stereocentres
- R, Rin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
46022-05-3SMILES
C1CC[C@H]([C@@H](C1)C(=O)O)C(=O)OInChIKey
QSAWQNUELGIYBC-PHDIDXHHSA-NInChI
InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Work with (1R,2R)-(-)-1,2-Cyclohexanedicarboxylic acid
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.
Similar compounds
trans-1,2-Cyclopentanedicarboxylic acid1461-97-889 % similar
(±)-trans-1,2-Cyclobutanedicarboxylic acid1124-13-678 % similar
2-Hydroxycyclohexanecarboxylic acid609-69-870 % similar
Cyclopentanecarboxylic acid3400-45-162 % similar
Cycloheptanecarboxylic acid1460-16-859 % similar
Cyclohexanecarboxylic acid26764-36-359 % similar
Cycloundecanecarboxylic acid831-67-459 % similar
Cyclohexanecarboxylic acid98-89-559 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.