6-Cyano-1H-indole-3-carboxylic Acid - CAS 174500-88-0
Catalog: |
BB046661 |
Product Name: |
6-Cyano-1H-indole-3-carboxylic Acid |
CAS: |
174500-88-0 |
Synonyms: |
1H-Indole-3-carboxylic acid, 6-cyano- |
IUPAC Name: | 6-cyano-1H-indole-3-carboxylic acid |
Description: | 6-Cyano-1H-indole-3-carboxylic Acid (CAS# 174500-88-0 ) is a useful research chemical. |
Molecular Weight: | 186.17 |
Molecular Formula: | C10H6N2O2 |
Canonical SMILES: | C1=CC2=C(C=C1C#N)NC=C2C(=O)O |
InChI: | InChI=1S/C10H6N2O2/c11-4-6-1-2-7-8(10(13)14)5-12-9(7)3-6/h1-3,5,12H,(H,13,14) |
InChI Key: | QBYXDZPCHOTIDJ-UHFFFAOYSA-N |
Boiling Point: | 509.0±30.0 °C at 760 mmHg |
Purity: | ≥ 97 % |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 294 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.042927438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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