1-Benzocyclobutenecarboxylic acid - CAS 14381-41-0
Catalog: |
BB009670 |
Product Name: |
1-Benzocyclobutenecarboxylic acid |
CAS: |
14381-41-0 |
Synonyms: |
bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid |
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 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110776926-A | Soil water-retaining agent and preparation method thereof | 20191126 |
CN-109988580-A | A kind of chesson cold-resistant drought-resistant water-preserving fertilizer conservation modifying agent | 20190513 |
CN-109988580-B | Cold-resistant drought-resistant fertilizer-preserving water-retaining modifier for loose soil | 20190513 |
CN-108218375-A | A kind of environmentally protective air-entrained concrete building block and preparation method thereof | 20180124 |
WO-2019074747-A1 | NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE (IDO) | 20171009 |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.052429494 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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