Home Carboxys tert-Butyl 3-methylpyrazole-1-carboxylate

tert-Butyl 3-methylpyrazole-1-carboxylate

CAS No.:
186551-70-2
Catalog Number:
AG0075LH
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$82
- +
5g
95%
In Stock USA
United States
$325
- +
10g
95%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG0075LH
Chemical Name:
tert-Butyl 3-methylpyrazole-1-carboxylate
CAS Number:
186551-70-2
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD21609566
IUPAC Name:
tert-butyl 3-methylpyrazole-1-carboxylate
InChI:
InChI=1S/C9H14N2O2/c1-7-5-6-11(10-7)8(12)13-9(2,3)4/h5-6H,1-4H3
InChI Key:
ODYFCIJRCTUHSV-UHFFFAOYSA-N
SMILES:
Cc1ccn(n1)C(=O)OC(C)(C)C
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties