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Home > Indoles and Oxindole > 16712-55-3
16712-55-3 | 1H-Indole, 3-methoxy-
CAS No: 16712-55-3 Catalog No: AG001X5F MDL No:
Product Description
Catalog Number:
AG001X5F
Chemical Name:
1H-Indole, 3-methoxy-
CAS Number:
16712-55-3
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
IUPAC Name:
3-methoxy-1H-indole
InChI:
InChI=1S/C9H9NO/c1-11-9-6-10-8-5-3-2-4-7(8)9/h2-6,10H,1H3
InChI Key:
CKDZUORTXOCQNI-UHFFFAOYSA-N
SMILES:
COc1c[nH]c2c1cccc2
Properties
Complexity:
138
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:
1
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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 |
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