5,7-Dimethyl-1H-indole-3-carbaldehyde - CAS 54102-44-2
Catalog: |
BB042553 |
Product Name: |
5,7-Dimethyl-1H-indole-3-carbaldehyde |
CAS: |
54102-44-2 |
Synonyms: |
SCHEMBL16067289; 5,7-dimethylindole-3-carbaldehyde; ZINC58823838 |
IUPAC Name: | 5,7-dimethyl-1H-indole-3-carbaldehyde |
Description: | 5,7-Dimethyl-1H-indole-3-carbaldehyde (CAS# 54102-44-2 ) is a useful research chemical. |
Molecular Weight: | 173.21 |
Molecular Formula: | C11H11NO |
Canonical SMILES: | CC1=CC(=C2C(=C1)C(=CN2)C=O)C |
InChI: | InChI=1S/C11H11NO/c1-7-3-8(2)11-10(4-7)9(6-13)5-12-11/h3-6,12H,1-2H3 |
InChI Key: | MLFXUBUXUOZLJP-UHFFFAOYSA-N |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.084063974 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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