Ethyl 2-Cyano-2-methylpropionate - CAS 1572-98-1
Catalog: |
BB011305 |
Product Name: |
Ethyl 2-Cyano-2-methylpropionate |
CAS: |
1572-98-1 |
Synonyms: |
2-cyano-2-methylpropanoic acid ethyl ester; ethyl 2-cyano-2-methylpropanoate |
IUPAC Name: | ethyl 2-cyano-2-methylpropanoate |
Description: | Ethyl 2-Cyano-2-methylpropionate (CAS# 1572-98-1) is a compound useful in organic synthesis. |
Molecular Weight: | 141.17 |
Molecular Formula: | C7H11NO2 |
Canonical SMILES: | CCOC(=O)C(C)(C)C#N |
InChI: | InChI=1S/C7H11NO2/c1-4-10-6(9)7(2,3)5-8/h4H2,1-3H3 |
InChI Key: | FYGRPGOHQCPZCV-UHFFFAOYSA-N |
Boiling Point: | 194.6 °C at 760 mmHg |
Density: | 1.001 g/cm3 |
MDL: | MFCD00034667 |
LogP: | 1.09928 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113321685-A | Metal complex, organic electroluminescent material and application thereof | 20200228 |
WO-2020239658-A1 | Novel compounds and pharmaceutical compositions thereof for the treatment of diseases | 20190529 |
JP-2019094335-A | Method of controlling harmful arthropod using heterocyclic compound | 20181226 |
WO-2019131922-A1 | Aryloxy compound | 20171227 |
JP-2021042126-A | Aryloxy compound | 20171227 |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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