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67282-55-7 | 1H-Indole-3-carboxaldehyde, 1-methoxy-
CAS No: 67282-55-7 Catalog No: AG0062X7 MDL No:
Product Description
Catalog Number:
AG0062X7
Chemical Name:
1H-Indole-3-carboxaldehyde, 1-methoxy-
CAS Number:
67282-55-7
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
1-methoxyindole-3-carbaldehyde
InChI:
InChI=1S/C10H9NO2/c1-13-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-7H,1H3
InChI Key:
NFGIENSPALNOON-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1cccc2)OC
NSC Number:
708490
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| [Studies on chemical constituents in root of Isatis indigotica]. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20070401 |
| A general synthesis of N-hydroxyindoles. | The Journal of organic chemistry 20031212 |
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