7-Methoxy-1H-indole-3-carbaldehyde - CAS 109021-59-2
Catalog: |
BB046733 |
Product Name: |
7-Methoxy-1H-indole-3-carbaldehyde |
CAS: |
109021-59-2 |
Synonyms: |
7-Methoxy-3-indolecarboxaldehyde; 3-Formyl-7-methoxyindole; 7-Methoxyindole-3-carboxaldehyde; 1H-Indole-3-carboxaldehyde, 7-methoxy- |
IUPAC Name: | 7-methoxy-1H-indole-3-carbaldehyde |
Description: | 7-Methoxy-1H-indole-3-carbaldehyde (CAS# 109021-59-2 ) is a useful research chemical. |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | COC1=CC=CC2=C1NC=C2C=O |
InChI: | InChI=1S/C10H9NO2/c1-13-9-4-2-3-8-7(6-12)5-11-10(8)9/h2-6,11H,1H3 |
InChI Key: | ATFRUNSOMCCJDJ-UHFFFAOYSA-N |
Boiling Point: | 375.2±22.0 °C (Predicted) |
Melting Point: | 159-160 °C |
Purity: | 95 % |
Density: | 1.273±0.06 g/cm3 (Predicted) |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.06332853 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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