2-Cyano-3-methyl-2-butenoic Acid - CAS 759-21-7
Catalog: |
BB035441 |
Product Name: |
2-Cyano-3-methyl-2-butenoic Acid |
CAS: |
759-21-7 |
Synonyms: |
2-cyano-3-methyl-2-butenoic acid; 2-cyano-3-methylbut-2-enoic acid |
IUPAC Name: | 2-cyano-3-methylbut-2-enoic acid |
Description: | 2-Cyano-3-methyl-2-butenoic Acid (CAS# 759-21-7) is a useful research chemical. |
Molecular Weight: | 125.13 |
Molecular Formula: | C6H7NO2 |
Canonical SMILES: | CC(=C(C#N)C(=O)O)C |
InChI: | InChI=1S/C6H7NO2/c1-4(2)5(3-7)6(8)9/h1-2H3,(H,8,9) |
InChI Key: | IMCBZLGYAYZSAM-UHFFFAOYSA-N |
Boiling Point: | 286.6 °C at 760 mmHg |
Density: | 1.15 g/cm3 |
LogP: | 0.93098 |
Publication Number | Title | Priority Date |
KR-20200056652-A | Novel compound as a protein kinase inhibitor, and the pharmaceutical composition comprising thereof | 20181115 |
WO-2020101382-A1 | Novel compound as protein kinase inhibitor, and pharmaceutical composition comprising thereof | 20181115 |
KR-102195348-B1 | Novel compound as a protein kinase inhibitor, and the pharmaceutical composition comprising thereof | 20181115 |
CN-113166094-A | Novel compounds as protein kinase inhibitors and pharmaceutical compositions comprising the same | 20181115 |
EP-3880671-A1 | Novel compound as protein kinase inhibitor, and pharmaceutical composition comprising thereof | 20181115 |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 125.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 125.047678466 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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