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87436-74-6 | 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-(3,4,5-trimethoxyphenyl)-
CAS No: 87436-74-6 Catalog No: AG004FXY MDL No:
Product Description
Catalog Number:
AG004FXY
Chemical Name:
2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-(3,4,5-trimethoxyphenyl)-
CAS Number:
87436-74-6
Molecular Formula:
C12H14N2O5
Molecular Weight:
266.2500
IUPAC Name:
5-(3,4,5-trimethoxyphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one
InChI:
InChI=1S/C12H14N2O5/c1-16-9-4-7(5-10(17-2)11(9)18-3)8-6-19-12(15)14-13-8/h4-5H,6H2,1-3H3,(H,14,15)
InChI Key:
DYQLWCHHMBSAMQ-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C1=NNC(=O)OC1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.253g/mol
Monoisotopic Mass:
266.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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