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873967-42-1 | 5-Amino-2,3-dimethyl-2,3-dihydrophthalazine-1,4-dione
CAS No: 873967-42-1 Catalog No: AG004GPF MDL No:MFCD09064011
Product Description
Catalog Number:
AG004GPF
Chemical Name:
5-Amino-2,3-dimethyl-2,3-dihydrophthalazine-1,4-dione
CAS Number:
873967-42-1
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
MDL Number:
MFCD09064011
IUPAC Name:
5-amino-2,3-dimethylphthalazine-1,4-dione
InChI:
InChI=1S/C10H11N3O2/c1-12-9(14)6-4-3-5-7(11)8(6)10(15)13(12)2/h3-5H,11H2,1-2H3
InChI Key:
NSFBHUKKNHLIMN-UHFFFAOYSA-N
SMILES:
Nc1cccc2c1c(=O)n(n(c2=O)C)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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