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79421-55-9 | 4(5H)-Thiazolone, 2-(2-oxo-2-phenylethyl)-
CAS No: 79421-55-9 Catalog No: AG005K3S MDL No:
Product Description
Catalog Number:
AG005K3S
Chemical Name:
4(5H)-Thiazolone, 2-(2-oxo-2-phenylethyl)-
CAS Number:
79421-55-9
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
IUPAC Name:
2-phenacyl-1,3-thiazol-4-one
InChI:
InChI=1S/C11H9NO2S/c13-9(8-4-2-1-3-5-8)6-11-12-10(14)7-15-11/h1-5H,6-7H2
InChI Key:
AQOWNZQKQKKMPZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC1=NC(=O)CS1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.258g/mol
Monoisotopic Mass:
219.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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