(±)-trans-1,2-Cyclobutanedicarboxylic acid

C₆H₈O₄CAS 1124-13-6144.13 g/mol

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Carboxylic 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2
Stereocentres: S, Sin SMILES atom order

Identifiers

CAS number

1124-13-6

SMILES

O=C(O)[C@H]1CC[C@@H]1C(=O)O

InChIKey

SUSAGCZZQKACKE-SEFKMRKONA-N

InChI

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-/s2

Weigh 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

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

Same formula

1,1-Cyclopropanedicarboxylic acid monomethyl ester113020-21-6 D-Lactide13076-17-0 Meldrum'S acid2033-24-1 Methyl β-acetylpyruvate20577-61-1 Monoethyl fumarate2459-05-4 2-Carboxyethyl acrylate24615-84-7 2-(2-Propen-1-yl)propanedioic acid2583-25-7 L-Lactide homopolymer33135-50-1

Elsewhere

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