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1020724-17-7 | 1H-Pyrazole-5-carboxylic acid, 1-(1,1-dimethylethyl)-3-propyl-
CAS No: 1020724-17-7 Catalog No: AG0006KR MDL No:
Product Description
Catalog Number:
AG0006KR
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1-(1,1-dimethylethyl)-3-propyl-
CAS Number:
1020724-17-7
Molecular Formula:
C11H18N2O2
Molecular Weight:
210.2728
IUPAC Name:
2-tert-butyl-5-propylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C11H18N2O2/c1-5-6-8-7-9(10(14)15)13(12-8)11(2,3)4/h7H,5-6H2,1-4H3,(H,14,15)
InChI Key:
XRSZLEYQODSYAK-UHFFFAOYSA-N
SMILES:
CCCc1nn(c(c1)C(=O)O)C(C)(C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.137g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.277g/mol
Monoisotopic Mass:
210.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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