Home Other Building Blocks 3-methyl-3-(thiophen-3-yl)oxolane-2,5-dione

3-methyl-3-(thiophen-3-yl)oxolane-2,5-dione

CAS No.:
1248465-86-2
Catalog Number:
AG019YSX
Molecular Formula:
C9H8O3S
Molecular Weight:
196.2230
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Product Description
Catalog Number:
AG019YSX
Chemical Name:
3-methyl-3-(thiophen-3-yl)oxolane-2,5-dione
CAS Number:
1248465-86-2
Molecular Formula:
C9H8O3S
Molecular Weight:
196.2230
MDL Number:
MFCD16671397
IUPAC Name:
3-methyl-3-thiophen-3-yloxolane-2,5-dione
InChI:
InChI=1S/C9H8O3S/c1-9(6-2-3-13-5-6)4-7(10)12-8(9)11/h2-3,5H,4H2,1H3
InChI Key:
IWIVBDULZYFZNO-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C(C1)(C)c1cscc1
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.019g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.22g/mol
Monoisotopic Mass:
196.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties