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16446-29-0 | 5(4H)-Thiazolone, 2-phenyl-
CAS No: 16446-29-0 Catalog No: AG001UWK MDL No:
Product Description
Catalog Number:
AG001UWK
Chemical Name:
5(4H)-Thiazolone, 2-phenyl-
CAS Number:
16446-29-0
Molecular Formula:
C9H7NOS
Molecular Weight:
177.2230
IUPAC Name:
2-phenyl-4H-1,3-thiazol-5-one
InChI:
InChI=1S/C9H7NOS/c11-8-6-10-9(12-8)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
YSFIZZRFIZSROW-UHFFFAOYSA-N
SMILES:
O=C1CN=C(S1)c1ccccc1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.221g/mol
Monoisotopic Mass:
177.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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