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Home > Indoles and Oxindole > 3040-34-4
3040-34-4 | 2H-Indol-2-one, 1,3-dihydro-3-hydroxy-3-methyl-
CAS No: 3040-34-4 Catalog No: AG00300X MDL No:MFCD10699556
Product Description
Catalog Number:
AG00300X
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-3-hydroxy-3-methyl-
CAS Number:
3040-34-4
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD10699556
IUPAC Name:
3-hydroxy-3-methyl-1H-indol-2-one
InChI:
InChI=1S/C9H9NO2/c1-9(12)6-4-2-3-5-7(6)10-8(9)11/h2-5,12H,1H3,(H,10,11)
InChI Key:
XCHBYBKNFIOSBB-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1(C)O)cccc2
NSC Number:
121888
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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 |
| Gene expression profiles in liver of pigs with extreme high and low levels of androstenone. | BMC veterinary research 20080101 |
| Metabolism and bioactivation of 3-methylindole by human liver microsomes. | Chemical research in toxicology 20070101 |
| The role of CYP2A and CYP2E1 in the metabolism of 3-methylindole in primary cultured porcine hepatocytes. | Drug metabolism and disposition: the biological fate of chemicals 20060501 |
| 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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