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119278-36-3 | 2,4(1H,3H)-Quinazolinedione, 6-(acetyloxy)-
CAS No: 119278-36-3 Catalog No: AG000IHW MDL No:
Product Description
Catalog Number:
AG000IHW
Chemical Name:
2,4(1H,3H)-Quinazolinedione, 6-(acetyloxy)-
CAS Number:
119278-36-3
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
IUPAC Name:
(2,4-dioxo-1H-quinazolin-6-yl) acetate
InChI:
InChI=1S/C10H8N2O4/c1-5(13)16-6-2-3-8-7(4-6)9(14)12-10(15)11-8/h2-4H,1H3,(H2,11,12,14,15)
InChI Key:
ILSSKAHXNTXWJC-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc2c(c1)c(=O)[nH]c(=O)[nH]2
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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