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1196-69-6 | 1H-Indole-5-carbaldehyde
CAS No: 1196-69-6 Catalog No: AG000P9A MDL No:MFCD02093664
Product Description
Catalog Number:
AG000P9A
Chemical Name:
1H-Indole-5-carbaldehyde
CAS Number:
1196-69-6
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
MDL Number:
MFCD02093664
IUPAC Name:
1H-indole-5-carbaldehyde
InChI:
InChI=1S/C9H7NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-6,10H
InChI Key:
ADZUEEUKBYCSEY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)cc[nH]2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
145.161g/mol
Monoisotopic Mass:
145.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Simple indole alkaloids from the neotropical rutaceous tree Raputia simulans. | Planta medica 20110901 |
| Prenylindoles from Tanzanian Monodora and Isolona species. | Natural product research 20040601 |
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