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26530-00-7 | 3(2H)-Isothiazolone, 2-(hydroxymethyl)-
CAS No: 26530-00-7 Catalog No: AG002TL5 MDL No:MFCD18324771
Product Description
Catalog Number:
AG002TL5
Chemical Name:
3(2H)-Isothiazolone, 2-(hydroxymethyl)-
CAS Number:
26530-00-7
Molecular Formula:
C4H5NO2S
Molecular Weight:
131.1530
MDL Number:
MFCD18324771
IUPAC Name:
2-(hydroxymethyl)-1,2-thiazol-3-one
InChI:
InChI=1S/C4H5NO2S/c6-3-5-4(7)1-2-8-5/h1-2,6H,3H2
InChI Key:
OPMCKYBELMAPEN-UHFFFAOYSA-N
SMILES:
OCn1sccc1=O
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.004g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
131.149g/mol
Monoisotopic Mass:
131.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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