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139605-63-3 | 2(3H)-Furanone, 3,3'-(1,4-piperazinediyl)bis[dihydro-
CAS No: 139605-63-3 Catalog No: AG001BCL MDL No:
Product Description
Catalog Number:
AG001BCL
Chemical Name:
2(3H)-Furanone, 3,3'-(1,4-piperazinediyl)bis[dihydro-
CAS Number:
139605-63-3
Molecular Formula:
C12H18N2O4
Molecular Weight:
254.2823
IUPAC Name:
3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]oxolan-2-one
InChI:
InChI=1S/C12H18N2O4/c15-11-9(1-7-17-11)13-3-5-14(6-4-13)10-2-8-18-12(10)16/h9-10H,1-8H2
InChI Key:
PJBYRWFNPMADRH-UHFFFAOYSA-N
SMILES:
O=C1OCCC1N1CCN(CC1)C1CCOC1=O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.286g/mol
Monoisotopic Mass:
254.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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