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20855-70-3 | 2(1H)-Pyrazinone, 3-butyl-3,6-dihydro-5-(hydroxyamino)-
CAS No: 20855-70-3 Catalog No: AG002JS0 MDL No:
Product Description
Catalog Number:
AG002JS0
Chemical Name:
2(1H)-Pyrazinone, 3-butyl-3,6-dihydro-5-(hydroxyamino)-
CAS Number:
20855-70-3
Molecular Formula:
C8H15N3O2
Molecular Weight:
185.2236
IUPAC Name:
5-butyl-3-(hydroxyamino)-2,5-dihydro-1H-pyrazin-6-one
InChI:
InChI=1S/C8H15N3O2/c1-2-3-4-6-8(12)9-5-7(10-6)11-13/h6,13H,2-5H2,1H3,(H,9,12)(H,10,11)
InChI Key:
NELBQMZXFGVYDZ-UHFFFAOYSA-N
SMILES:
CCCCC1N=C(CNC1=O)NO
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
185.227g/mol
Monoisotopic Mass:
185.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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