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824976-21-8 | 2H-Pyran-2-one, 6-methyl-4-(3-thienyl)-
CAS No: 824976-21-8 Catalog No: AG004UPO MDL No:
Product Description
Catalog Number:
AG004UPO
Chemical Name:
2H-Pyran-2-one, 6-methyl-4-(3-thienyl)-
CAS Number:
824976-21-8
Molecular Formula:
C10H8O2S
Molecular Weight:
192.2343
IUPAC Name:
6-methyl-4-thiophen-3-ylpyran-2-one
InChI:
InChI=1S/C10H8O2S/c1-7-4-9(5-10(11)12-7)8-2-3-13-6-8/h2-6H,1H3
InChI Key:
LSESZDUGJTWIFU-UHFFFAOYSA-N
SMILES:
Cc1oc(=O)cc(c1)c1cscc1
Properties
Complexity:
291
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
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