Cyclobut-1-ene-1-carboxylic Acid - CAS 23519-90-6
Catalog: |
BB070405 |
Product Name: |
Cyclobut-1-ene-1-carboxylic Acid |
CAS: |
23519-90-6 |
Synonyms: |
1-CYCLOBUTENE-1-CARBOXYLIC ACID; Cyclobut-1-enecarboxylic acid; cyclobut-1-ene-1-carboxylic acid; Cyclobutene-1-carboxylic Acid; 1-cyclobutenecarboxylic acid; Cyclobut-1-enecarboxylicacid; 1-Chycobutane carboxylic acid |
IUPAC Name: | cyclobutene-1-carboxylic acid |
Description: | Cyclobut-1-ene-1-carboxylic Acid is a useful research chemical used in the synthesis of copolymers by alternating ROMP. |
Molecular Weight: | 98.09 |
Molecular Formula: | C5H6O2 |
Canonical SMILES: | C1CC(=C1)C(=O)O |
InChI: | InChI=1S/C5H6O2/c6-5(7)4-2-1-3-4/h2H,1,3H2,(H,6,7) |
InChI Key: | CXUKMALSQXRODE-UHFFFAOYSA-N |
References: | Song, A., et al. J. Am. Chem. Soc. 131, 10, 3444-445, (2009). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 98.03677943 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 98.03677943 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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