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1020724-25-7 | 1H-Pyrazole-5-carboxylic acid, 1-(1,1-dimethylethyl)-3-(2-methylpropyl)-
CAS No: 1020724-25-7 Catalog No: AG0006KQ MDL No:
Product Description
Catalog Number:
AG0006KQ
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1-(1,1-dimethylethyl)-3-(2-methylpropyl)-
CAS Number:
1020724-25-7
Molecular Formula:
C12H20N2O2
Molecular Weight:
224.2994
IUPAC Name:
2-tert-butyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C12H20N2O2/c1-8(2)6-9-7-10(11(15)16)14(13-9)12(3,4)5/h7-8H,6H2,1-5H3,(H,15,16)
InChI Key:
CXDYWUSZSGGFHV-UHFFFAOYSA-N
SMILES:
CC(Cc1nn(c(c1)C(=O)O)C(C)(C)C)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.304g/mol
Monoisotopic Mass:
224.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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