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Home > Indoles and Oxindole > 23456-82-8
23456-82-8 | 1H-Indole, 4-ethoxy-
CAS No: 23456-82-8 Catalog No: AG002NBC MDL No:MFCD11110381
Product Description
Catalog Number:
AG002NBC
Chemical Name:
1H-Indole, 4-ethoxy-
CAS Number:
23456-82-8
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD11110381
IUPAC Name:
4-ethoxy-1H-indole
InChI:
InChI=1S/C10H11NO/c1-2-12-10-5-3-4-9-8(10)6-7-11-9/h3-7,11H,2H2,1H3
InChI Key:
ADTHBTGXERXZTF-UHFFFAOYSA-N
SMILES:
CCOc1cccc2c1cc[nH]2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Novel aryloxy-8-azabicyclo[3.2.1]oct-3-enes with 5-HT transporter and 5-HT1A affinity. | Bioorganic & medicinal chemistry letters 20041101 |
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