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72425-73-1 | 2,3-Piperazinedione, 1-[(2,4-dimethoxyphenyl)methyl]-
CAS No: 72425-73-1 Catalog No: AG005HL1 MDL No:
Product Description
Catalog Number:
AG005HL1
Chemical Name:
2,3-Piperazinedione, 1-[(2,4-dimethoxyphenyl)methyl]-
CAS Number:
72425-73-1
Molecular Formula:
C13H16N2O4
Molecular Weight:
264.2771
IUPAC Name:
1-[(2,4-dimethoxyphenyl)methyl]piperazine-2,3-dione
InChI:
InChI=1S/C13H16N2O4/c1-18-10-4-3-9(11(7-10)19-2)8-15-6-5-14-12(16)13(15)17/h3-4,7H,5-6,8H2,1-2H3,(H,14,16)
InChI Key:
KYUNLOYJJVYLIZ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1CN1CCNC(=O)C1=O
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.281g/mol
Monoisotopic Mass:
264.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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