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338400-11-6 | 4-hydroxy-2-[4-(propan-2-yl)phenyl]-6H-1,3-thiazin-6-one
CAS No: 338400-11-6 Catalog No: AG00IOB7 MDL No:MFCD00793779
Product Description
Catalog Number:
AG00IOB7
Chemical Name:
4-hydroxy-2-[4-(propan-2-yl)phenyl]-6H-1,3-thiazin-6-one
CAS Number:
338400-11-6
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
MDL Number:
MFCD00793779
IUPAC Name:
4-hydroxy-2-(4-propan-2-ylphenyl)-1,3-thiazin-6-one
InChI:
InChI=1S/C13H13NO2S/c1-8(2)9-3-5-10(6-4-9)13-14-11(15)7-12(16)17-13/h3-8,15H,1-2H3
InChI Key:
ZZUCUOKIFSANOC-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)c1nc(O)cc(=O)s1)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.312g/mol
Monoisotopic Mass:
247.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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