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82697-76-5 | 2-(3,4,5-Trimethoxyphenyl)-1,3-perhydrothiazine-4-one
CAS No: 82697-76-5 Catalog No: AG00GJYV MDL No:
Product Description
Catalog Number:
AG00GJYV
Chemical Name:
2-(3,4,5-Trimethoxyphenyl)-1,3-perhydrothiazine-4-one
CAS Number:
82697-76-5
IUPAC Name:
2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
InChI:
InChI=1S/C13H17NO4S/c1-16-9-6-8(7-10(17-2)12(9)18-3)13-14-11(15)4-5-19-13/h6-7,13H,4-5H2,1-3H3,(H,14,15)
InChI Key:
RNZPUDNTBZUVDK-UHFFFAOYSA-N
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.342g/mol
Monoisotopic Mass:
283.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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