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189134-28-9 | 2-Cyclopenten-1-ol, 4-(1-methylethyl)-3-(phenylsulfonyl)-, (1R,4R)-rel-
CAS No: 189134-28-9 Catalog No: AG002HXE MDL No:
Product Description
Catalog Number:
AG002HXE
Chemical Name:
2-Cyclopenten-1-ol, 4-(1-methylethyl)-3-(phenylsulfonyl)-, (1R,4R)-rel-
CAS Number:
189134-28-9
Molecular Formula:
C14H18O3S
Molecular Weight:
266.3559
IUPAC Name:
(1S,4S)-3-(benzenesulfonyl)-4-propan-2-ylcyclopent-2-en-1-ol
InChI:
InChI=1S/C14H18O3S/c1-10(2)13-8-11(15)9-14(13)18(16,17)12-6-4-3-5-7-12/h3-7,9-11,13,15H,8H2,1-2H3/t11-,13-/m0/s1
InChI Key:
YMEBJTJUWYEXHS-AAEUAGOBSA-N
SMILES:
CC([C@H]1C[C@H](C=C1S(=O)(=O)c1ccccc1)O)C
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
266.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.355g/mol
Monoisotopic Mass:
266.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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