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68480-30-8 | 2-octyl-2H-isothiazol-3-one hydrochloride
CAS No: 68480-30-8 Catalog No: AG00G09W MDL No:
Product Description
Catalog Number:
AG00G09W
Chemical Name:
2-octyl-2H-isothiazol-3-one hydrochloride
CAS Number:
68480-30-8
IUPAC Name:
2-octyl-1,2-thiazol-3-one;hydrochloride
InChI:
InChI=1S/C11H19NOS.ClH/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12;/h8,10H,2-7,9H2,1H3;1H
InChI Key:
DPGJMCSIMCJAOO-UHFFFAOYSA-N
EC Number:
270-908-1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.797g/mol
Monoisotopic Mass:
249.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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