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112969-91-2 | 2-(2-furoyl)thiazole
CAS No: 112969-91-2 Catalog No: AG01F9PQ MDL No:
Product Description
Catalog Number:
AG01F9PQ
Chemical Name:
2-(2-furoyl)thiazole
CAS Number:
112969-91-2
Molecular Formula:
C8H5NO2S
Molecular Weight:
179.1958
IUPAC Name:
furan-2-yl(1,3-thiazol-2-yl)methanone
InChI:
InChI=1S/C8H5NO2S/c10-7(6-2-1-4-11-6)8-9-3-5-12-8/h1-5H
InChI Key:
ZPDZXDBCHKCECB-UHFFFAOYSA-N
SMILES:
O=C(c1nccs1)c1ccco1
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.193g/mol
Monoisotopic Mass:
179.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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