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Home > Indoles and Oxindole > 2521-13-3
2521-13-3 | 1H-Indole, 5-methoxy-1-methyl-
CAS No: 2521-13-3 Catalog No: AG002QY3 MDL No:MFCD05863250
Product Description
Catalog Number:
AG002QY3
Chemical Name:
1H-Indole, 5-methoxy-1-methyl-
CAS Number:
2521-13-3
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD05863250
IUPAC Name:
5-methoxy-1-methylindole
InChI:
InChI=1S/C10H11NO/c1-11-6-5-8-7-9(12-2)3-4-10(8)11/h3-7H,1-2H3
InChI Key:
HQNPKVBTBJUMTR-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccn2C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
14.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Highly enantioselective trapping of zwitterionic intermediates by imines. | Nature chemistry 20120901 |
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