3-ethyl-1H-pyrrole-2-carboxylic acid - CAS 89776-56-7
Catalog: |
BB039589 |
Product Name: |
3-ethyl-1H-pyrrole-2-carboxylic acid |
CAS: |
89776-56-7 |
Synonyms: |
3-ethyl-1H-pyrrole-2-carboxylic acid; 3-ethyl-1H-pyrrole-2-carboxylic acid |
IUPAC Name: | 3-ethyl-1H-pyrrole-2-carboxylic acid |
Description: | 3-ethyl-1H-pyrrole-2-carboxylic acid (CAS# 89776-56-7 ) is a useful research chemical. |
Molecular Weight: | 139.154 |
Molecular Formula: | C7H9NO2 |
Canonical SMILES: | CCC1=C(NC=C1)C(=O)O |
InChI: | InChI=1S/C7H9NO2/c1-2-5-3-4-8-6(5)7(9)10/h3-4,8H,2H2,1H3,(H,9,10) |
InChI Key: | HAJJWEJJQVKQMZ-UHFFFAOYSA-N |
LogP: | 1.27530 |
Publication Number | Title | Priority Date |
TW-201922725-A | D-type amino acid oxidase inhibitor and use thereof | 20171018 |
WO-2010138368-A1 | Hepatitis c virus inhibitors | 20090529 |
EP-2376491-A1 | Pyrrolotriazines as alk and jak2 inhibitors | 20081219 |
EP-2376491-B1 | Pyrrolotriazines as alk and jak2 inhibitors | 20081219 |
US-2012028919-A1 | Pyrrolotriazines as alk and jak2 inhibitors | 20081219 |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.06332853 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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