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1196-70-9 | Indole-6-carboxaldehyde
CAS No: 1196-70-9 Catalog No: AG000P99 MDL No:MFCD02179596
Product Description
Catalog Number:
AG000P99
Chemical Name:
Indole-6-carboxaldehyde
CAS Number:
1196-70-9
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
MDL Number:
MFCD02179596
IUPAC Name:
1H-indole-6-carbaldehyde
InChI:
InChI=1S/C9H7NO/c11-6-7-1-2-8-3-4-10-9(8)5-7/h1-6,10H
InChI Key:
VSPBWOAEHQDXRD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)[nH]cc2
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:
2.1
Literature
| Title | Journal |
|---|---|
| Functional evolution of the vitamin D and pregnane X receptors. | BMC evolutionary biology 20070101 |
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