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Home Aldehydes 2-Methylindole-3-carboxaldehyde

2-Methylindole-3-carboxaldehyde

CAS No.:
5416-80-8
Catalog Number:
AG003JHX
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$13
- +
5g
96%
In Stock USA
United States
$25
- +
25g
96%
In Stock USA
United States
$69
- +
100g
96%
In Stock USA
United States
$194
- +
Product Description
Catalog Number:
AG003JHX
Chemical Name:
2-Methylindole-3-carboxaldehyde
CAS Number:
5416-80-8
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD00012077
IUPAC Name:
2-methyl-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C10H9NO/c1-7-9(6-12)8-4-2-3-5-10(8)11-7/h2-6,11H,1H3
InChI Key:
CYZIVXOEJNAIBS-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)[nH]c2c1cccc2
EC Number:
226-512-6
UNII:
R0Y4EK4FX7
NSC Number:
11895
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:
1  
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
(2-Methyl-1-phenyl-sulfonyl-1H-indol-3-yl)methanol. Acta crystallographica. Section E, Structure reports online 20080201
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties