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289041-82-3 | 1H-Pyrazole-3-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-
CAS No: 289041-82-3 Catalog No: AG002X0T MDL No:
Product Description
Catalog Number:
AG002X0T
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-
CAS Number:
289041-82-3
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
IUPAC Name:
4-(2-hydroxypropan-2-yl)-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C7H10N2O3/c1-7(2,12)4-3-8-9-5(4)6(10)11/h3,12H,1-2H3,(H,8,9)(H,10,11)
InChI Key:
RRBPPZGEFJVIDW-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]cc1C(O)(C)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
170.168g/mol
Monoisotopic Mass:
170.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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