IUPAC Name: | bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid |
Description: | 1-Benzocyclobutenecarboxylic acid (CAS# 14381-41-0) is a dynamic building block, capable of taking part in Diels-Alder reactions, and has been used to create large compounds such as cyclohexylmethylpiperidinyltriphenylpropioamide, a highly selective M3 antagonist. |
Molecular Weight: | 148.16 |
Molecular Formula: | C9H8O2 |
Canonical SMILES: | C1C(C2=CC=CC=C21)C(=O)O |
InChI: | InChI=1S/C9H8O2/c10-9(11)8-5-6-3-1-2-4-7(6)8/h1-4,8H,5H2,(H,10,11) |
InChI Key: | NYOXTUZNVYEODT-UHFFFAOYSA-N |
Boiling Point: | 318.6 ℃ at 760 mmHg |
Density: | 1.31 g/cm3 |
Appearance: | White to beige powder |
MDL: | MFCD00001351 |
LogP: | 1.41090 |
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Related Functional Groups
Carbonyl Compounds
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
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