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144500-38-9 | 2(3H)-Furanone, dihydro-3,3-dimethyl-5-(phenylthio)-
CAS No: 144500-38-9 Catalog No: AG001JO5 MDL No:
Product Description
Catalog Number:
AG001JO5
Chemical Name:
2(3H)-Furanone, dihydro-3,3-dimethyl-5-(phenylthio)-
CAS Number:
144500-38-9
Molecular Formula:
C12H14O2S
Molecular Weight:
222.3034
IUPAC Name:
3,3-dimethyl-5-phenylsulfanyloxolan-2-one
InChI:
InChI=1S/C12H14O2S/c1-12(2)8-10(14-11(12)13)15-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChI Key:
BHMPRIFNVSWDLR-UHFFFAOYSA-N
SMILES:
O=C1OC(CC1(C)C)Sc1ccccc1
Properties
Complexity:
244
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:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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