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697311-91-4 | 2(3H)-Thiazolone, 4-hydroxy-5-methyl-
CAS No: 697311-91-4 Catalog No: AG006818 MDL No:
Product Description
Catalog Number:
AG006818
Chemical Name:
2(3H)-Thiazolone, 4-hydroxy-5-methyl-
CAS Number:
697311-91-4
Molecular Formula:
C4H5NO2S
Molecular Weight:
131.1530
IUPAC Name:
4-hydroxy-5-methyl-3H-1,3-thiazol-2-one
InChI:
InChI=1S/C4H5NO2S/c1-2-3(6)5-4(7)8-2/h6H,1H3,(H,5,7)
InChI Key:
ZEBFIWQEXWXSHY-UHFFFAOYSA-N
SMILES:
Cc1sc(=O)[nH]c1O
Properties
Complexity:
163
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:
2
Isotope Atom Count:
0
Molecular Weight:
131.149g/mol
Monoisotopic Mass:
131.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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