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Home Carboxys 1-Methylbenzotriazole-5-carboxylic acid

1-Methylbenzotriazole-5-carboxylic acid

CAS No.:
305381-67-3
Catalog Number:
AG0030HF
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%(HPLC)
In Stock USA
United States
$61
- +
250mg
97%
In Stock USA
United States
$75
- +
1g
97%
In Stock USA
United States
$188
- +
5g
97%
In Stock USA
United States
$494
- +
10g
97%
In Stock USA
United States
$812
- +
Product Description
Catalog Number:
AG0030HF
Chemical Name:
1-Methylbenzotriazole-5-carboxylic acid
CAS Number:
305381-67-3
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD03086163
IUPAC Name:
1-methylbenzotriazole-5-carboxylic acid
InChI:
InChI=1S/C8H7N3O2/c1-11-7-3-2-5(8(12)13)4-6(7)9-10-11/h2-4H,1H3,(H,12,13)
InChI Key:
SGHWYTLJLHVIBQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)nnn2C
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
1-Alkyl-benzotriazole-5-carboxylic acids are highly selective agonists of the human orphan G-protein-coupled receptor GPR109b. Journal of medicinal chemistry 20060223
Properties