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87683-13-4 | 2(3H)-Furanone, dihydro-4-hydroxy-3-(phenylthio)-
CAS No: 87683-13-4 Catalog No: AG004K9X MDL No:
Product Description
Catalog Number:
AG004K9X
Chemical Name:
2(3H)-Furanone, dihydro-4-hydroxy-3-(phenylthio)-
CAS Number:
87683-13-4
Molecular Formula:
C10H10O3S
Molecular Weight:
210.2496
IUPAC Name:
4-hydroxy-3-phenylsulfanyloxolan-2-one
InChI:
InChI=1S/C10H10O3S/c11-8-6-13-10(12)9(8)14-7-4-2-1-3-5-7/h1-5,8-9,11H,6H2
InChI Key:
HOHDZBRDVAFVGC-UHFFFAOYSA-N
SMILES:
OC1COC(=O)C1Sc1ccccc1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.247g/mol
Monoisotopic Mass:
210.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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