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Home Carboxys 1-Methylindole-2-carboxylic acid

1-Methylindole-2-carboxylic acid

CAS No.:
16136-58-6
Catalog Number:
AG001SEU
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$63
- +
10g
98%
In Stock USA
United States
$100
- +
25g
98%
In Stock USA
United States
$250
- +
100g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG001SEU
Chemical Name:
1-Methylindole-2-carboxylic acid
CAS Number:
16136-58-6
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD00005801
IUPAC Name:
1-methylindole-2-carboxylic acid
InChI:
InChI=1S/C10H9NO2/c1-11-8-5-3-2-4-7(8)6-9(11)10(12)13/h2-6H,1H3,(H,12,13)
InChI Key:
MAHAMBLNIDMREX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(n1C)cccc2
NSC Number:
68357
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:
1  
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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