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Home Carboxys 6-Methyl-1H-indole-2-carboxylic acid

6-Methyl-1H-indole-2-carboxylic acid

CAS No.:
18474-59-4
Catalog Number:
AG0074XO
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$132
- +
5g
98%
In Stock USA
United States
$407
- +
10g
98%
In Stock USA
United States
$738
- +
25g
98%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG0074XO
Chemical Name:
6-Methyl-1H-indole-2-carboxylic acid
CAS Number:
18474-59-4
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD02664477
IUPAC Name:
6-methyl-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C10H9NO2/c1-6-2-3-7-5-9(10(12)13)11-8(7)4-6/h2-5,11H,1H3,(H,12,13)
InChI Key:
ZKGSVVHFMZASJS-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)[nH]c(c2)C(=O)O
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
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Structure-guided design of alpha-amino acid-derived Pin1 inhibitors. Bioorganic & medicinal chemistry letters 20100115
Properties