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Home > Thiazole > 1349717-29-8
1349717-29-8 | 3-(3-Oxo-3,4-dihydro-2H-benzothiazin-7-yl)benzyl alcohol
CAS No: 1349717-29-8 Catalog No: AG01F7GQ MDL No:
Product Description
Catalog Number:
AG01F7GQ
Chemical Name:
3-(3-Oxo-3,4-dihydro-2H-benzothiazin-7-yl)benzyl alcohol
CAS Number:
1349717-29-8
Molecular Formula:
C15H13NO2S
Molecular Weight:
271.3342
IUPAC Name:
7-[3-(hydroxymethyl)phenyl]-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C15H13NO2S/c17-8-10-2-1-3-11(6-10)12-4-5-13-14(7-12)19-9-15(18)16-13/h1-7,17H,8-9H2,(H,16,18)
InChI Key:
XZNZZHYWWLPDLQ-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)c1ccc2c(c1)SCC(=O)N2
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.334g/mol
Monoisotopic Mass:
271.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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