3-Butenoic acid - CAS 625-38-7
Catalog: |
BB031645 |
Product Name: |
3-Butenoic acid |
CAS: |
625-38-7 |
Synonyms: |
but-3-enoic acid |
IUPAC Name: | but-3-enoic acid |
Description: | 3-Butenoic acid (CAS# 625-38-7) is an in vivo inhibitor of the peptide amidating enzyme peptidylglycine hydroxylase. |
Molecular Weight: | 86.09 |
Molecular Formula: | C4H6O2 |
Canonical SMILES: | C=CCC(=O)O |
InChI: | InChI=1S/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6) |
InChI Key: | PVEOYINWKBTPIZ-UHFFFAOYSA-N |
Boiling Point: | 163 °C |
Melting Point: | -39 °C |
Purity: | 95 % |
Density: | 1.01 g/cm3 |
Appearance: | Clear colourless to yellow liquid |
Storage: | 2-8 °C |
MDL: | MFCD00002782 |
LogP: | 0.64710 |
GHS Hazard Statement: | H302 (82.98%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
22685034 | 20120701 | Crosslinked aggregates of Rhizopus oryzae lipase as industrial biocatalysts: preparation, optimization, characterization, and application for enantioselective resolution reactions | Biotechnology progress |
22563425 | 20120101 | The Ruegeria pomeroyi acuI gene has a role in DMSP catabolism and resembles yhdH of E. coli and other bacteria in conferring resistance to acrylate | PloS one |
21916521 | 20111007 | Convenient synthesis of 3-vinyl and 3-styryl coumarins | Organic letters |
21790174 | 20110906 | Synthesis of thermosensitive microgels with a tunable magnetic core | Langmuir : the ACS journal of surfaces and colloids |
21644572 | 20110601 | Antibiofouling hybrid dendritic Boltorn/star PEG thiol-ene cross-linked networks | ACS applied materials & interfaces |
Complexity: | 65.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 86.036779430 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 86.036779430 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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