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Home Carboxys 1-Phenyl-1H-1,2,3-triazole-5-carboxylic acid

1-Phenyl-1H-1,2,3-triazole-5-carboxylic acid

CAS No.:
15966-72-0
Catalog Number:
AG001R9Z
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$789
- +
5g
95%
In Stock USA
United States
$2671
- +
Product Description
Catalog Number:
AG001R9Z
Chemical Name:
1-Phenyl-1H-1,2,3-triazole-5-carboxylic acid
CAS Number:
15966-72-0
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD00179922
IUPAC Name:
3-phenyltriazole-4-carboxylic acid
InChI:
InChI=1S/C9H7N3O2/c13-9(14)8-6-10-11-12(8)7-4-2-1-3-5-7/h1-6H,(H,13,14)
InChI Key:
WGNBQRMKJSODLB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnnn1c1ccccc1
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Inhibitor scaffold for the histone lysine demethylase KDM4C (JMJD2C). Bioorganic & medicinal chemistry letters 20120915
Properties