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Home > Indoles and Oxindole > 1125-40-2
1125-40-2 | 3-Methyl-1H-indol-5-ol
CAS No: 1125-40-2 Catalog No: AG007AM1 MDL No:MFCD03095210
Product Description
Catalog Number:
AG007AM1
Chemical Name:
3-Methyl-1H-indol-5-ol
CAS Number:
1125-40-2
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD03095210
IUPAC Name:
3-methyl-1H-indol-5-ol
InChI:
InChI=1S/C9H9NO/c1-6-5-10-9-3-2-7(11)4-8(6)9/h2-5,10-11H,1H3
InChI Key:
NPHFOFOYWYLBTF-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c(C)c[nH]2
UNII:
21QUG33SLM
Properties
Complexity:
149
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:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| The roles of different porcine cytochrome P450 enzymes and cytochrome b5A in skatole metabolism. | Animal : an international journal of animal bioscience 20120501 |
| In vitro bioactivation of bazedoxifene and 2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol in human liver microsomes. | Chemico-biological interactions 20120415 |
| Metabolism and bioactivation of 3-methylindole by human liver microsomes. | Chemical research in toxicology 20070101 |
| Phase II in vitro metabolism of 3-methylindole metabolites in porcine liver. | Xenobiotica; the fate of foreign compounds in biological systems 20030501 |
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