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114912-57-1 | 2,5-Piperazinedione, 1-acetyl-3-[(2,5-dimethoxyphenyl)methylene]-
CAS No: 114912-57-1 Catalog No: AG000FG3 MDL No:
Product Description
Catalog Number:
AG000FG3
Chemical Name:
2,5-Piperazinedione, 1-acetyl-3-[(2,5-dimethoxyphenyl)methylene]-
CAS Number:
114912-57-1
Molecular Formula:
C15H16N2O5
Molecular Weight:
304.2979
IUPAC Name:
1-acetyl-3-[(2,5-dimethoxyphenyl)methylidene]piperazine-2,5-dione
InChI:
InChI=1S/C15H16N2O5/c1-9(18)17-8-14(19)16-12(15(17)20)7-10-6-11(21-2)4-5-13(10)22-3/h4-7H,8H2,1-3H3,(H,16,19)
InChI Key:
JFIXWPILWOMXHU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C=C1NC(=O)CN(C1=O)C(=O)C)OC
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.302g/mol
Monoisotopic Mass:
304.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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