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20855-67-8 | 2(1H)-Pyrazinone, 3,6-dihydro-5-(hydroxyamino)-3-(1-methylethyl)-
CAS No: 20855-67-8 Catalog No: AG002JS2 MDL No:
Product Description
Catalog Number:
AG002JS2
Chemical Name:
2(1H)-Pyrazinone, 3,6-dihydro-5-(hydroxyamino)-3-(1-methylethyl)-
CAS Number:
20855-67-8
Molecular Formula:
C7H13N3O2
Molecular Weight:
171.1970
IUPAC Name:
3-(hydroxyamino)-5-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one
InChI:
InChI=1S/C7H13N3O2/c1-4(2)6-7(11)8-3-5(9-6)10-12/h4,6,12H,3H2,1-2H3,(H,8,11)(H,9,10)
InChI Key:
LRNWNQJUFSRNRG-UHFFFAOYSA-N
SMILES:
ONC1=NC(C(=O)NC1)C(C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.101g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
171.2g/mol
Monoisotopic Mass:
171.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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