1-Methyl-1H-indole-6-carboxaldehyde - CAS 21005-45-8
Catalog: |
BB016532 |
Product Name: |
1-Methyl-1H-indole-6-carboxaldehyde |
CAS: |
21005-45-8 |
Synonyms: |
1-methylindole-6-carbaldehyde |
IUPAC Name: | 1-methylindole-6-carbaldehyde |
Description: | 1-Methyl-1H-indole-6-carboxaldehyde (CAS# 21005-45-8) is a useful research chemical. |
Molecular Weight: | 159.18 |
Molecular Formula: | C10H9NO |
Canonical SMILES: | CN1C=CC2=C1C=C(C=C2)C=O |
InChI: | InChI=1S/C10H9NO/c1-11-5-4-9-3-2-8(7-12)6-10(9)11/h2-7H,1H3 |
InChI Key: | QGAKKGIWURKKHV-UHFFFAOYSA-N |
Boiling Point: | 318.7 ℃ at 760 mmHg |
Density: | 1.1 g/cm3 |
MDL: | MFCD08690251 |
LogP: | 1.99080 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 |
Signal Word: | Warning |
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Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 22 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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