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Home Carboxys 1-Isopropyl-1h-1,2,4-triazole-3-carboxylic acid

1-Isopropyl-1h-1,2,4-triazole-3-carboxylic acid

CAS No.:
1425090-56-7
Catalog Number:
AG00HWIB
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$168
- +
250mg
95%
In Stock USA
United States
$294
- +
1g
95%
In Stock USA
United States
$588
- +
Product Description
Catalog Number:
AG00HWIB
Chemical Name:
1-Isopropyl-1h-1,2,4-triazole-3-carboxylic acid
CAS Number:
1425090-56-7
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD25509420
IUPAC Name:
1-propan-2-yl-1,2,4-triazole-3-carboxylic acid
InChI:
InChI=1S/C6H9N3O2/c1-4(2)9-3-7-5(8-9)6(10)11/h3-4H,1-2H3,(H,10,11)
InChI Key:
ITSXMBPUAOXJII-UHFFFAOYSA-N
SMILES:
CC(n1cnc(n1)C(=O)O)C
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.069g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
155.157g/mol
Monoisotopic Mass:
155.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties