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89441-85-0 | 2H-1,4-Benzoxazin-3(4H)-one, 6-(acetyloxy)-
CAS No: 89441-85-0 Catalog No: AG0044JU MDL No:
Product Description
Catalog Number:
AG0044JU
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 6-(acetyloxy)-
CAS Number:
89441-85-0
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
IUPAC Name:
(3-oxo-4H-1,4-benzoxazin-6-yl) acetate
InChI:
InChI=1S/C10H9NO4/c1-6(12)15-7-2-3-9-8(4-7)11-10(13)5-14-9/h2-4H,5H2,1H3,(H,11,13)
InChI Key:
VSGFPBKPVLKKJY-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)cc(cc2)OC(=O)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.185g/mol
Monoisotopic Mass:
207.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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