CAS 10241-97-1 | 1H-Indole-2-carboxylic acid, 5-methyl- | CAS Number 10241-97-1

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10241-97-1 | 1H-Indole-2-carboxylic acid, 5-methyl-

CAS No: 10241-97-1 Catalog No: AG0007E4 MDL No:MFCD00047166

Product Description

Catalog Number:

AG0007E4

Chemical Name:

1H-Indole-2-carboxylic acid, 5-methyl-

CAS Number:

10241-97-1

Molecular Formula:

C10H9NO2

Molecular Weight:

175.1840

MDL Number:

MFCD00047166

IUPAC Name:

5-methyl-1H-indole-2-carboxylic acid

InChI:

InChI=1S/C10H9NO2/c1-6-2-3-8-7(4-6)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)

InChI Key:

DAITVOCMWPNFTL-UHFFFAOYSA-N

SMILES:

Cc1ccc2c(c1)cc([nH]2)C(=O)O

NSC Number:

88873

Properties

Complexity:

217

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

175.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

175.187g/mol

Monoisotopic Mass:

175.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
Structure-guided design of alpha-amino acid-derived Pin1 inhibitors.	Bioorganic & medicinal chemistry letters 20100115
A chemical screening approach reveals that indole fluorescence is quenched by pre-fibrillar but not fibrillar amyloid-beta.	Bioorganic & medicinal chemistry letters 20090901
Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening.	Journal of medicinal chemistry 20040506