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116058-96-9

116058-96-9 | 2-Benzothiazoleethanol,beta-ethenyl-alpha-methyl-,(R*,S*)-(9CI)

CAS No: 116058-96-9 Catalog No: AG009KI0 MDL No:

Product Description

Catalog Number:
AG009KI0
Chemical Name:
2-Benzothiazoleethanol,beta-ethenyl-alpha-methyl-,(R*,S*)-(9CI)
CAS Number:
116058-96-9
IUPAC Name:
3-(1,3-benzothiazol-2-yl)pent-4-en-2-ol
InChI:
InChI=1S/C12H13NOS/c1-3-9(8(2)14)12-13-10-6-4-5-7-11(10)15-12/h3-9,14H,1H2,2H3
InChI Key:
SOZLUISJBSHCPY-UHFFFAOYSA-N

Properties

Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.072g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.302g/mol
Monoisotopic Mass:
219.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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