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Home Carboxys 5-Methylindole-2-carboxylic acid

5-Methylindole-2-carboxylic acid

CAS No.:
10241-97-1
Catalog Number:
AG0007E4
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$23
- +
5g
98%
In Stock USA
United States
$94
- +
25g
98%
In Stock USA
United States
$388
- +
100g
98%
In Stock USA
United States
$1494
- +
Product Description
Catalog Number:
AG0007E4
Chemical Name:
5-Methylindole-2-carboxylic acid
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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties