Home Carboxys Ethyl 1-(tert-butyl)-1h-pyrazole-4-carboxylate

Ethyl 1-(tert-butyl)-1h-pyrazole-4-carboxylate

CAS No.:
139308-53-5
Catalog Number:
AG001AQ3
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
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Product Description
Catalog Number:
AG001AQ3
Chemical Name:
Ethyl 1-(tert-butyl)-1h-pyrazole-4-carboxylate
CAS Number:
139308-53-5
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
MDL Number:
MFCD17206126
IUPAC Name:
ethyl 1-tert-butylpyrazole-4-carboxylate
InChI:
InChI=1S/C10H16N2O2/c1-5-14-9(13)8-6-11-12(7-8)10(2,3)4/h6-7H,5H2,1-4H3
InChI Key:
RDYBTTCDGUWPKW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1)C(C)(C)C
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:
0
Isotope Atom Count:
0
Molecular Weight:
196.25g/mol
Monoisotopic Mass:
196.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties