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117173-96-3 | 1H-Pyrazole-4-carboxylic acid, 3-hydrazinyl-5-(1-methylethoxy)-
CAS No: 117173-96-3 Catalog No: AG000DV0 MDL No:
Product Description
Catalog Number:
AG000DV0
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 3-hydrazinyl-5-(1-methylethoxy)-
CAS Number:
117173-96-3
Molecular Formula:
C7H12N4O3
Molecular Weight:
200.1952
IUPAC Name:
3-hydrazinyl-5-propan-2-yloxy-1H-pyrazole-4-carboxylic acid
InChI:
InChI=1S/C7H12N4O3/c1-3(2)14-6-4(7(12)13)5(9-8)10-11-6/h3H,8H2,1-2H3,(H,12,13)(H2,9,10,11)
InChI Key:
XNEFXGFPTALPFN-UHFFFAOYSA-N
SMILES:
NNc1n[nH]c(c1C(=O)O)OC(C)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.091g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
200.198g/mol
Monoisotopic Mass:
200.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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