Home Carboxys 1-tert-Butyl-1h-pyrazole-3-carboxylic acid

1-tert-Butyl-1h-pyrazole-3-carboxylic acid

CAS No.:
942508-00-1
Catalog Number:
AG00IKKR
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$249
- +
1g
95%
1 week
United States
$566
- +
Product Description
Catalog Number:
AG00IKKR
Chemical Name:
1-tert-Butyl-1h-pyrazole-3-carboxylic acid
CAS Number:
942508-00-1
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD21605339
IUPAC Name:
1-tert-butylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C8H12N2O2/c1-8(2,3)10-5-4-6(9-10)7(11)12/h4-5H,1-3H3,(H,11,12)
InChI Key:
YVWPAKDUPICHEE-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccn(n1)C(C)(C)C
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties