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22139-72-6 | 1H-Indole-3-acetaldehyde, 5-methoxy-
CAS No: 22139-72-6 Catalog No: AG007PBC MDL No:
Product Description
Catalog Number:
AG007PBC
Chemical Name:
1H-Indole-3-acetaldehyde, 5-methoxy-
CAS Number:
22139-72-6
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
2-(5-methoxy-1H-indol-3-yl)acetaldehyde
InChI:
InChI=1S/C11H11NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,5-7,12H,4H2,1H3
InChI Key:
XVHHCGDXCDKKLH-UHFFFAOYSA-N
SMILES:
O=CCc1c[nH]c2c1cc(OC)cc2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Melatonin metabolism in the central nervous system. | Current neuropharmacology 20100901 |
| Melatonin in the skin: synthesis, metabolism and functions. | Trends in endocrinology and metabolism: TEM 20080101 |
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