3-Formyl-1H-indole-4-carboxylic acid - CAS 208772-46-7
Catalog: |
BB046735 |
Product Name: |
3-Formyl-1H-indole-4-carboxylic acid |
CAS: |
208772-46-7 |
Synonyms: |
3-formylindole-4-carboxylic acid; 1H-Indole-4-carboxylic acid, 3-formyl- |
IUPAC Name: | 3-formyl-1H-indole-4-carboxylic acid |
Description: | 3-Formyl-1H-indole-4-carboxylic acid (CAS# 208772-46-7 ) is a useful research chemical. |
Molecular Weight: | 189.17 |
Molecular Formula: | C10H7NO3 |
Canonical SMILES: | C1=CC(=C2C(=C1)NC=C2C=O)C(=O)O |
InChI: | InChI=1S/C10H7NO3/c12-5-6-4-11-8-3-1-2-7(9(6)8)10(13)14/h1-5,11H,(H,13,14) |
InChI Key: | GLURRHBQBOQINO-UHFFFAOYSA-N |
Boiling Point: | 496.9±25.0 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.042593085 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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