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5-(1H-Tetrazol-1-yl)-1H-pyrazole-3-carboxylic acid

CAS No.:
1039008-40-6
Catalog Number:
AG00858Z
Molecular Formula:
C5H4N6O2
Molecular Weight:
180.1243
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
Product Description
Catalog Number:
AG00858Z
Chemical Name:
5-(1H-Tetrazol-1-yl)-1H-pyrazole-3-carboxylic acid
CAS Number:
1039008-40-6
Molecular Formula:
C5H4N6O2
Molecular Weight:
180.1243
MDL Number:
MFCD12028417
IUPAC Name:
3-(tetrazol-1-yl)-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C5H4N6O2/c12-5(13)3-1-4(8-7-3)11-2-6-9-10-11/h1-2H,(H,7,8)(H,12,13)
InChI Key:
QMCYTZWSWDTSML-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]nc(c1)n1cnnn1
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.127g/mol
Monoisotopic Mass:
180.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties