Home Other Building Blocks 5-TERT-BUTYL-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER

5-TERT-BUTYL-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER

CAS No.:
294852-57-6
Catalog Number:
AG00BCNL
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00BCNL
Chemical Name:
5-TERT-BUTYL-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
CAS Number:
294852-57-6
MDL Number:
MFCD00173782
IUPAC Name:
ethyl 5-tert-butyl-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C10H16N2O2/c1-5-14-9(13)7-6-8(12-11-7)10(2,3)4/h6H,5H2,1-4H3,(H,11,12)
InChI Key:
RCXMILPYEKVQLB-UHFFFAOYSA-N
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.121g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.25g/mol
Monoisotopic Mass:
196.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties