(±)-trans-1,2-Cyclobutanedicarboxylic acid
Properties
- Molecular formula
- C6H8O4
- Molar mass
- 144.13 g/mol
- Exact mass
- 144.0423 Da
- Melting point
- 130–131 °C
- Boiling point
- 140 °C (at 2 Torr)
- logP
- 0.18Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
- Stereocentres
- S, Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
1124-13-6SMILES
O=C(O)[C@H]1CC[C@@H]1C(=O)OInChIKey
SUSAGCZZQKACKE-SEFKMRKONA-NInChI
InChI=1/C6H8O4/c7-5(8)3-1-2-4(3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4-/s2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 1,2-Cyclobutanedicarboxylic acid, (1R,2R)-rel-
- 1,2-Cyclobutanedicarboxylic acid, trans-
- Rel-(1R,2R)-1,2-Cyclobutanedicarboxylic acid
- trans-1,2-Cyclobutanedicarboxylic acid
- NSC 527264
Work with (±)-trans-1,2-Cyclobutanedicarboxylic acid
Similar compounds
trans-1,2-Cyclopentanedicarboxylic acid1461-97-878 % similar
1,2-Cyclohexanedicarboxylic acid1687-30-578 % similar
(±)-trans-1,2-Cyclohexanedicarboxylic acid2305-32-078 % similar
(1R,2R)-(-)-1,2-Cyclohexanedicarboxylic acid46022-05-378 % similar
cis-1,2-Cyclohexanedicarboxylic acid610-09-378 % similar
1,4-Cyclohexanedicarboxylic acid1076-97-758 % similar
Cyclopropanecarboxylic acid1759-53-158 % similar
1,4-Cyclohexanedicarboxylic acid619-81-858 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.