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1020724-10-0 | 1H-Pyrazole-5-carboxylic acid, 1-(1,1-dimethylethyl)-3-ethyl-
CAS No: 1020724-10-0 Catalog No: AG0006KS MDL No:
Product Description
Catalog Number:
AG0006KS
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1-(1,1-dimethylethyl)-3-ethyl-
CAS Number:
1020724-10-0
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
IUPAC Name:
2-tert-butyl-5-ethylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C10H16N2O2/c1-5-7-6-8(9(13)14)12(11-7)10(2,3)4/h6H,5H2,1-4H3,(H,13,14)
InChI Key:
ZYSNHPOYTOTYBD-UHFFFAOYSA-N
SMILES:
CCc1nn(c(c1)C(=O)O)C(C)(C)C
Properties
Complexity:
223
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:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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