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27421-51-8 | 1-Methyl-1H-indole-2-carbaldehyde
CAS No: 27421-51-8 Catalog No: AG003EH5 MDL No:MFCD01863665
Product Description
Catalog Number:
AG003EH5
Chemical Name:
1-Methyl-1H-indole-2-carbaldehyde
CAS Number:
27421-51-8
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD01863665
IUPAC Name:
1-methylindole-2-carbaldehyde
InChI:
InChI=1S/C10H9NO/c1-11-9(7-12)6-8-4-2-3-5-10(8)11/h2-7H,1H3
InChI Key:
IBNGPIOSWCMJGG-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(n1C)cccc2
NSC Number:
106285
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| 3,4,5-Trihydr-oxy-N'-[(1-methyl-1H-indol-2-yl)methyl-idene]benzohydrazide. | Acta crystallographica. Section E, Structure reports online 20090801 |
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