sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 1-Cyclopropyl-1,2,3-benzotriazole-5-carboxylic acid

1-Cyclopropyl-1,2,3-benzotriazole-5-carboxylic acid

CAS No.:
691363-13-0
Catalog Number:
AG00FGXM
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$275
- +
5g
98%
In Stock USA
United States
$1025
- +
Product Description
Catalog Number:
AG00FGXM
Chemical Name:
1-Cyclopropyl-1,2,3-benzotriazole-5-carboxylic acid
CAS Number:
691363-13-0
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD09031746
IUPAC Name:
1-cyclopropylbenzotriazole-5-carboxylic acid
InChI:
InChI=1S/C10H9N3O2/c14-10(15)6-1-4-9-8(5-6)11-12-13(9)7-2-3-7/h1,4-5,7H,2-3H2,(H,14,15)
InChI Key:
UYVLESLXWSORKA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)nnn2C1CC1
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
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