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114020-19-8 | Acetic acid, 2-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)oxy]-, methyl ester
CAS No: 114020-19-8 Catalog No: AG000AB1 MDL No:
Product Description
Catalog Number:
AG000AB1
Chemical Name:
Acetic acid, 2-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)oxy]-, methyl ester
CAS Number:
114020-19-8
Molecular Formula:
C10H9N3O4
Molecular Weight:
235.1962
IUPAC Name:
methyl 2-[(4-oxo-1,2,3-benzotriazin-3-yl)oxy]acetate
InChI:
InChI=1S/C10H9N3O4/c1-16-9(14)6-17-13-10(15)7-4-2-3-5-8(7)11-12-13/h2-5H,6H2,1H3
InChI Key:
WOXDFKQZNCCDOM-UHFFFAOYSA-N
SMILES:
COC(=O)COn1nnc2c(c1=O)cccc2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.199g/mol
Monoisotopic Mass:
235.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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