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88346-60-5 | 2,5-Pyrazinedione, 3,6-dibutyl-
CAS No: 88346-60-5 Catalog No: AG0045ZY MDL No:
Product Description
Catalog Number:
AG0045ZY
Chemical Name:
2,5-Pyrazinedione, 3,6-dibutyl-
CAS Number:
88346-60-5
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
IUPAC Name:
3,6-dibutylpyrazine-2,5-dione
InChI:
InChI=1S/C12H18N2O2/c1-3-5-7-9-11(15)14-10(8-6-4-2)12(16)13-9/h3-8H2,1-2H3
InChI Key:
OFVFMMHQGCZODK-UHFFFAOYSA-N
SMILES:
CCCCC1=NC(=O)C(=NC1=O)CCCC
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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