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113928-45-3 | 2,5-Piperazinedione, 3,6-di-2-propyn-1-yl-
CAS No: 113928-45-3 Catalog No: AG000A33 MDL No:
Product Description
Catalog Number:
AG000A33
Chemical Name:
2,5-Piperazinedione, 3,6-di-2-propyn-1-yl-
CAS Number:
113928-45-3
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
IUPAC Name:
3,6-bis(prop-2-ynyl)piperazine-2,5-dione
InChI:
InChI=1S/C10H10N2O2/c1-3-5-7-9(13)12-8(6-4-2)10(14)11-7/h1-2,7-8H,5-6H2,(H,11,14)(H,12,13)
InChI Key:
SHIIFJKMUIRVTJ-UHFFFAOYSA-N
SMILES:
C#CCC1NC(=O)C(NC1=O)CC#C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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