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101080-13-1 | 2,5-Piperazinedione, 3-(2-hydroxyethyl)-
CAS No: 101080-13-1 Catalog No: AG0003OS MDL No:
Product Description
Catalog Number:
AG0003OS
Chemical Name:
2,5-Piperazinedione, 3-(2-hydroxyethyl)-
CAS Number:
101080-13-1
Molecular Formula:
C6H10N2O3
Molecular Weight:
158.1552
IUPAC Name:
3-(2-hydroxyethyl)piperazine-2,5-dione
InChI:
InChI=1S/C6H10N2O3/c9-2-1-4-6(11)7-3-5(10)8-4/h4,9H,1-3H2,(H,7,11)(H,8,10)
InChI Key:
YUMNGCOHGVQKNN-UHFFFAOYSA-N
SMILES:
OCCC1NC(=O)CNC1=O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
158.157g/mol
Monoisotopic Mass:
158.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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