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Home > Indoles and Oxindole > 216101-54-1
216101-54-1 | 3H-Indol-3-ol, 3-methyl-
CAS No: 216101-54-1 Catalog No: AG0070IZ MDL No:
Product Description
Catalog Number:
AG0070IZ
Chemical Name:
3H-Indol-3-ol, 3-methyl-
CAS Number:
216101-54-1
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
IUPAC Name:
3-methylindol-3-ol
InChI:
InChI=1S/C9H9NO/c1-9(11)6-10-8-5-3-2-4-7(8)9/h2-6,11H,1H3
InChI Key:
HYZSAMREMMAXPO-UHFFFAOYSA-N
SMILES:
CC1(O)C=Nc2c1cccc2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Metabolism and bioactivation of 3-methylindole by human liver microsomes. | Chemical research in toxicology 20070101 |
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