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87998-20-7 | 2(3H)-Furanone, dihydro-5-methyl-3-methylene-5-(2-thienyl)-
CAS No: 87998-20-7 Catalog No: AG004KIE MDL No:
Product Description
Catalog Number:
AG004KIE
Chemical Name:
2(3H)-Furanone, dihydro-5-methyl-3-methylene-5-(2-thienyl)-
CAS Number:
87998-20-7
Molecular Formula:
C10H10O2S
Molecular Weight:
194.2502
IUPAC Name:
5-methyl-3-methylidene-5-thiophen-2-yloxolan-2-one
InChI:
InChI=1S/C10H10O2S/c1-7-6-10(2,12-9(7)11)8-4-3-5-13-8/h3-5H,1,6H2,2H3
InChI Key:
FOLHMWWKVANDCY-UHFFFAOYSA-N
SMILES:
C=C1CC(OC1=O)(C)c1cccs1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.248g/mol
Monoisotopic Mass:
194.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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