6-Methylindole-3-carbaldehyde - CAS 4771-49-7
Catalog: |
BB026369 |
Product Name: |
6-Methylindole-3-carbaldehyde |
CAS: |
4771-49-7 |
Synonyms: |
6-methyl-1H-indole-3-carboxaldehyde; 6-methyl-1H-indole-3-carbaldehyde |
IUPAC Name: | 6-methyl-1H-indole-3-carbaldehyde |
Description: | 6-Methylindole-3-carbaldehyde (CAS# 4771-49-7) is a useful research chemical. |
Molecular Weight: | 159.18 |
Molecular Formula: | C10H9NO |
Canonical SMILES: | CC1=CC2=C(C=C1)C(=CN2)C=O |
InChI: | InChI=1S/C10H9NO/c1-7-2-3-9-8(6-12)5-11-10(9)4-7/h2-6,11H,1H3 |
InChI Key: | LZERQSJGPXFAKB-UHFFFAOYSA-N |
Boiling Point: | 339.3 ℃ at 760 mmHg |
Density: | 1.226 g/cm3 |
MDL: | MFCD00049347 |
LogP: | 2.28880 |
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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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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