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71741-70-3 | 2(3H)-Furanone, dihydro-3-methylene-5-(1-methylethyl)-5-(2-thienyl)-
CAS No: 71741-70-3 Catalog No: AG005FM8 MDL No:
Product Description
Catalog Number:
AG005FM8
Chemical Name:
2(3H)-Furanone, dihydro-3-methylene-5-(1-methylethyl)-5-(2-thienyl)-
CAS Number:
71741-70-3
Molecular Formula:
C12H14O2S
Molecular Weight:
222.3034
IUPAC Name:
3-methylidene-5-propan-2-yl-5-thiophen-2-yloxolan-2-one
InChI:
InChI=1S/C12H14O2S/c1-8(2)12(10-5-4-6-15-10)7-9(3)11(13)14-12/h4-6,8H,3,7H2,1-2H3
InChI Key:
DDLPIXGGZANXOQ-UHFFFAOYSA-N
SMILES:
C=C1CC(OC1=O)(C(C)C)c1cccs1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.302g/mol
Monoisotopic Mass:
222.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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