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Home > Thiazole > 1343313-51-8
1343313-51-8 | 1-(4H,6H,7H-PYRANO[4,3-D][1,3]THIAZOL-2-YL)ETHAN-1-ONE
CAS No: 1343313-51-8 Catalog No: AG01DVBM MDL No:MFCD18343993
Product Description
Catalog Number:
AG01DVBM
Chemical Name:
1-(4H,6H,7H-PYRANO[4,3-D][1,3]THIAZOL-2-YL)ETHAN-1-ONE
CAS Number:
1343313-51-8
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
MDL Number:
MFCD18343993
IUPAC Name:
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethanone
InChI:
InChI=1S/C8H9NO2S/c1-5(10)8-9-6-2-3-11-4-7(6)12-8/h2-4H2,1H3
InChI Key:
IPRNTYPYUBUSDV-UHFFFAOYSA-N
SMILES:
CC(=O)c1nc2c(s1)COCC2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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