5416-80-8 | 2-Methylindole-3-carboxaldehyde

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$5.00	$4.00
5g	98%	in stock	$8.00	$6.00
10g	98%	in stock	$13.00	$10.00
25g	98%	in stock	$31.00	$22.00

Description

• Catalog Number: AB65037
• Chemical Name: 2-Methylindole-3-carboxaldehyde
• CAS Number: 5416-80-8
• Molecular Formula: C10H9NO
• Molecular Weight: 159.18455999999998
• MDL Number: MFCD00012077
• SMILES: O=Cc1c(C)[nH]c2c1cccc2
• NSC Number: 11895

Computed Properties

• Complexity: 181
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.9

Literature

• (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