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99585-18-9 | 9H-Carbazole-2-carboxaldehyde
CAS No: 99585-18-9 Catalog No: AG005S1I MDL No:
Product Description
Catalog Number:
AG005S1I
Chemical Name:
9H-Carbazole-2-carboxaldehyde
CAS Number:
99585-18-9
Molecular Formula:
C13H9NO
Molecular Weight:
195.2167
IUPAC Name:
9H-carbazole-2-carbaldehyde
InChI:
InChI=1S/C13H9NO/c15-8-9-5-6-11-10-3-1-2-4-12(10)14-13(11)7-9/h1-8,14H
InChI Key:
LCENSQOWDHIKAN-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)[nH]c1c2cccc1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.221g/mol
Monoisotopic Mass:
195.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Kinesin spindle protein (KSP) inhibitors with 2,3-fused indole scaffolds. | Journal of medicinal chemistry 20100708 |
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