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20855-71-4 | 2,5-Piperazinedione, 1-propyl-, 2-oxime
CAS No: 20855-71-4 Catalog No: AG002JRZ MDL No:
Product Description
Catalog Number:
AG002JRZ
Chemical Name:
2,5-Piperazinedione, 1-propyl-, 2-oxime
CAS Number:
20855-71-4
Molecular Formula:
C7H13N3O2
Molecular Weight:
171.1970
IUPAC Name:
5-hydroxyimino-4-propylpiperazin-2-one
InChI:
InChI=1S/C7H13N3O2/c1-2-3-10-5-7(11)8-4-6(10)9-12/h12H,2-5H2,1H3,(H,8,11)
InChI Key:
LGDFNYKEGGOZPA-UHFFFAOYSA-N
SMILES:
CCCN1CC(=O)NCC1=NO
Properties
Complexity:
203
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:
2
Isotope Atom Count:
0
Molecular Weight:
171.2g/mol
Monoisotopic Mass:
171.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0
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