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89861-16-5 | 3-Furanethanol, 2-(phenylthio)-
CAS No: 89861-16-5 Catalog No: AG003WR2 MDL No:
Product Description
Catalog Number:
AG003WR2
Chemical Name:
3-Furanethanol, 2-(phenylthio)-
CAS Number:
89861-16-5
Molecular Formula:
C12H12O2S
Molecular Weight:
220.2875
IUPAC Name:
2-(2-phenylsulfanylfuran-3-yl)ethanol
InChI:
InChI=1S/C12H12O2S/c13-8-6-10-7-9-14-12(10)15-11-4-2-1-3-5-11/h1-5,7,9,13H,6,8H2
InChI Key:
XZZXDXIINLTMRC-UHFFFAOYSA-N
SMILES:
OCCc1ccoc1Sc1ccccc1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.286g/mol
Monoisotopic Mass:
220.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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