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838858-86-9 | 4(3H)-QUINAZOLINONE, 6-[(ACETYLOXY)METHYL]-2,7-DIMETHYL-
CAS No: 838858-86-9 Catalog No: AG004RU0 MDL No:
Product Description
Catalog Number:
AG004RU0
Chemical Name:
4(3H)-QUINAZOLINONE, 6-[(ACETYLOXY)METHYL]-2,7-DIMETHYL-
CAS Number:
838858-86-9
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
(2,7-dimethyl-4-oxo-3H-quinazolin-6-yl)methyl acetate
InChI:
InChI=1S/C13H14N2O3/c1-7-4-12-11(13(17)15-8(2)14-12)5-10(7)6-18-9(3)16/h4-5H,6H2,1-3H3,(H,14,15,17)
InChI Key:
VZAZVSUZJVVXBW-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1cc2c(cc1C)nc([nH]c2=O)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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