1-Cyano-2-hydroxy-3-butene - CAS 27451-36-1
Catalog: |
BB068797 |
Product Name: |
1-Cyano-2-hydroxy-3-butene |
CAS: |
27451-36-1 |
Synonyms: |
3-hydroxypent-4-enenitrile; 1-Cyano-2-hydroxy-3-butene; 4-Pentenenitrile, 3-hydroxy-; 3-Hydroxy-4-pentenenitrile; 3-Hydroxy-pent-4-enenitrile; 3-Hydroxypent-4-enenitrile |
Related CAS: | 6071-81-4
|
IUPAC Name: | 3-hydroxypent-4-enenitrile |
Description: | 1-CYANO-2-HYDROXY-3-BUTENE (cas# 27451-36-1) is a useful research chemical. |
Molecular Weight: | 97.12 |
Molecular Formula: | C5H7NO |
Canonical SMILES: | C=CC(CC#N)O |
InChI: | InChI=1S/C5H7NO/c1-2-5(7)3-4-6/h2,5,7H,1,3H2 |
InChI Key: | PBCLOVRWBLGJQA-UHFFFAOYSA-N |
Solubility: | Chloroform (Sparingly), Methanol (Slightly) |
Appearance: | Colourless Oil |
Storage: | Refrigerator |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P316, P321, P330, P405, and P501 |
Signal Word: | Danger |
Complexity: | 99.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 97.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 97.052763847 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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