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113268-96-5 | Phenol, 2-(3,4-dihydro-6,7-dimethoxy-2H-1,3-benzothiazin-2-yl)-
CAS No: 113268-96-5 Catalog No: AG00823M MDL No:
Product Description
Catalog Number:
AG00823M
Chemical Name:
Phenol, 2-(3,4-dihydro-6,7-dimethoxy-2H-1,3-benzothiazin-2-yl)-
CAS Number:
113268-96-5
Molecular Formula:
C16H17NO3S
Molecular Weight:
303.3761
IUPAC Name:
2-(6,7-dimethoxy-3,4-dihydro-2H-1,3-benzothiazin-2-yl)phenol
InChI:
InChI=1S/C16H17NO3S/c1-19-13-7-10-9-17-16(11-5-3-4-6-12(11)18)21-15(10)8-14(13)20-2/h3-8,16-18H,9H2,1-2H3
InChI Key:
WODVCDUCUHQLFZ-UHFFFAOYSA-N
SMILES:
COc1cc2SC(NCc2cc1OC)c1ccccc1O
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.093g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.376g/mol
Monoisotopic Mass:
303.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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