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Home > Indoles and Oxindole > 30536-48-2
30536-48-2 | 1H-Indole-3-acetonitrile, 1-methoxy-
CAS No: 30536-48-2 Catalog No: AG0030H9 MDL No:MFCD26406109
Product Description
Catalog Number:
AG0030H9
Chemical Name:
1H-Indole-3-acetonitrile, 1-methoxy-
CAS Number:
30536-48-2
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD26406109
IUPAC Name:
2-(1-methoxyindol-3-yl)acetonitrile
InChI:
InChI=1S/C11H10N2O/c1-14-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6H2,1H3
InChI Key:
LIJIPBYXIXTNLE-UHFFFAOYSA-N
SMILES:
N#CCc1cn(c2c1cccc2)OC
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Alkaloids from the root of Isatis indigotica. | Journal of natural products 20120622 |
| [Studies on chemical constituents in root of Isatis indigotica]. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20070401 |
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