3-cyano-1H-pyrrole-2-carboxylic acid - CAS 7126-56-9
Catalog: |
BB034342 |
Product Name: |
3-cyano-1H-pyrrole-2-carboxylic acid |
CAS: |
7126-56-9 |
Synonyms: |
3-cyano-1H-pyrrole-2-carboxylic acid; 3-cyano-1H-pyrrole-2-carboxylic acid |
IUPAC Name: | 3-cyano-1H-pyrrole-2-carboxylic acid |
Description: | 3-cyano-1H-pyrrole-2-carboxylic acid (CAS# 7126-56-9 ) is a useful research chemical. |
Molecular Weight: | 136.11 |
Molecular Formula: | C6H4N2O2 |
Canonical SMILES: | C1=CNC(=C1C#N)C(=O)O |
InChI: | InChI=1S/C6H4N2O2/c7-3-4-1-2-8-5(4)6(9)10/h1-2,8H,(H,9,10) |
InChI Key: | CNLGBNHSAZGLJS-UHFFFAOYSA-N |
LogP: | 0.58458 |
Publication Number | Title | Priority Date |
AU-2012245837-A1 | Method for mosquito control | 20110421 |
AU-2012245837-B2 | Method for mosquito control | 20110421 |
CA-2833629-A1 | Method for mosquito control | 20110421 |
IL-229001-A | Method for restraining mosquitoes | 20110421 |
US-2013259846-A1 | Method for Mosquito Control | 20110421 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.027277375 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.027277375 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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