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887764-06-9 | 2,4(1H,3H)-QUINAZOLINEDIONE, 6,7-DIMETHOXY-5-METHYL-
CAS No: 887764-06-9 Catalog No: AG004B6W MDL No:
Product Description
Catalog Number:
AG004B6W
Chemical Name:
2,4(1H,3H)-QUINAZOLINEDIONE, 6,7-DIMETHOXY-5-METHYL-
CAS Number:
887764-06-9
Molecular Formula:
C11H12N2O4
Molecular Weight:
236.2240
IUPAC Name:
6,7-dimethoxy-5-methyl-1H-quinazoline-2,4-dione
InChI:
InChI=1S/C11H12N2O4/c1-5-8-6(12-11(15)13-10(8)14)4-7(16-2)9(5)17-3/h4H,1-3H3,(H2,12,13,14,15)
InChI Key:
RLJHFQFZVHWJBT-UHFFFAOYSA-N
SMILES:
COc1cc2[nH]c(=O)[nH]c(=O)c2c(c1OC)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.227g/mol
Monoisotopic Mass:
236.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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