3-Cyclopropyl-2-propynoic acid - CAS 7358-93-2
Catalog: |
BB034883 |
Product Name: |
3-Cyclopropyl-2-propynoic acid |
CAS: |
7358-93-2 |
Synonyms: |
3-cyclopropylprop-2-ynoic acid |
IUPAC Name: | 3-cyclopropylprop-2-ynoic acid |
Description: | 3-Cyclopropyl-2-propynoic acid (CAS# 7358-93-2) is a useful research chemical. |
Molecular Weight: | 110.11 |
Molecular Formula: | C6H6O2 |
Canonical SMILES: | C1CC1C#CC(=O)O |
InChI: | InChI=1S/C6H6O2/c7-6(8)4-3-5-1-2-5/h5H,1-2H2,(H,7,8) |
InChI Key: | IJODLTUIUAZITN-UHFFFAOYSA-N |
Boiling Point: | 248.3 ℃ at 760 mmHg |
Density: | 1.25 g/cm3 |
MDL: | MFCD03035228 |
LogP: | 0.48440 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021037018-A1 | Dihydroquinazoline or tetrahydroquinazoline compound and intermediates, preparation methods and use thereof | 20190826 |
WO-2021011670-A1 | Adenosine a2a receptor antagonists and uses thereof | 20190717 |
CN-108424367-A | A kind of method that propiolic acid and its derivative are prepared under temperate condition | 20170213 |
CN-108424367-B | Method for preparing propiolic acid and derivatives thereof under mild condition | 20170213 |
AU-2017287762-A1 | Pyrazolopyrimidine derivatives as kinase inhibitor | 20160630 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 110.036779430 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 110.036779430 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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