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13794-72-4 | 4(3H)-Quinazolinone, 6,7-dimethoxy-
CAS No: 13794-72-4 Catalog No: AG0017P9 MDL No:MFCD01570147
Product Description
Catalog Number:
AG0017P9
Chemical Name:
4(3H)-Quinazolinone, 6,7-dimethoxy-
CAS Number:
13794-72-4
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
MDL Number:
MFCD01570147
IUPAC Name:
6,7-dimethoxy-3H-quinazolin-4-one
InChI:
InChI=1S/C10H10N2O3/c1-14-8-3-6-7(4-9(8)15-2)11-5-12-10(6)13/h3-5H,1-2H3,(H,11,12,13)
InChI Key:
DMSRMHGCZUXCMJ-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)nc[nH]c2=O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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