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133261-10-6 | 1H-Pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-1-methyl-, ethyl ester
CAS No: 133261-10-6 Catalog No: AG0014ID MDL No:MFCD00085059
Product Description
Catalog Number:
AG0014ID
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-1-methyl-, ethyl ester
CAS Number:
133261-10-6
Molecular Formula:
C11H18N2O2
Molecular Weight:
210.2728
MDL Number:
MFCD00085059
IUPAC Name:
ethyl 5-tert-butyl-2-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C11H18N2O2/c1-6-15-10(14)8-7-9(11(2,3)4)12-13(8)5/h7H,6H2,1-5H3
InChI Key:
JCOHRMJIHAFFBC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(nn1C)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:
0
Isotope Atom Count:
0
Molecular Weight:
210.277g/mol
Monoisotopic Mass:
210.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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