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13206-55-8 | 1H-Inden-1-ol, 2,3-dihydro-2-(phenylthio)-, trans- (9CI)
CAS No: 13206-55-8 Catalog No: AG001051 MDL No:
Product Description
Catalog Number:
AG001051
Chemical Name:
1H-Inden-1-ol, 2,3-dihydro-2-(phenylthio)-, trans- (9CI)
CAS Number:
13206-55-8
Molecular Formula:
C15H14OS
Molecular Weight:
242.3361
IUPAC Name:
(1R,2R)-2-phenylsulfanyl-2,3-dihydro-1H-inden-1-ol
InChI:
InChI=1S/C15H14OS/c16-15-13-9-5-4-6-11(13)10-14(15)17-12-7-2-1-3-8-12/h1-9,14-16H,10H2/t14-,15-/m1/s1
InChI Key:
WGUFODCQOAJXDU-HUUCEWRRSA-N
SMILES:
O[C@H]1[C@H](Sc2ccccc2)Cc2c1cccc2
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
242.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.336g/mol
Monoisotopic Mass:
242.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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