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278597-52-7 | 2(5H)-Thiophenone, 4-hydroxy-3,5-dimethyl-5-octyl-, (5R)-
CAS No: 278597-52-7 Catalog No: AG002UYK MDL No:
Product Description
Catalog Number:
AG002UYK
Chemical Name:
2(5H)-Thiophenone, 4-hydroxy-3,5-dimethyl-5-octyl-, (5R)-
CAS Number:
278597-52-7
Molecular Formula:
C14H24O2S
Molecular Weight:
256.4042
IUPAC Name:
(5R)-4-hydroxy-3,5-dimethyl-5-octylthiophen-2-one
InChI:
InChI=1S/C14H24O2S/c1-4-5-6-7-8-9-10-14(3)12(15)11(2)13(16)17-14/h15H,4-10H2,1-3H3/t14-/m1/s1
InChI Key:
LOVFARKOSKKFGH-CQSZACIVSA-N
SMILES:
CCCCCCCC[C@@]1(C)SC(=O)C(=C1O)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
256.15g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.404g/mol
Monoisotopic Mass:
256.15g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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