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23060-82-4 | 2H-Pyran-2-one, 6-(5-methyl-2-thienyl)-
CAS No: 23060-82-4 Catalog No: AG002M2O MDL No:
Product Description
Catalog Number:
AG002M2O
Chemical Name:
2H-Pyran-2-one, 6-(5-methyl-2-thienyl)-
CAS Number:
23060-82-4
Molecular Formula:
C10H8O2S
Molecular Weight:
192.2343
IUPAC Name:
6-(5-methylthiophen-2-yl)pyran-2-one
InChI:
InChI=1S/C10H8O2S/c1-7-5-6-9(13-7)8-3-2-4-10(11)12-8/h2-6H,1H3
InChI Key:
RLALOARUIZVTFR-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)c1cccc(=O)o1
NSC Number:
131823
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.232g/mol
Monoisotopic Mass:
192.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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