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121851-32-9 | 2-Cyclohexen-1-one, 3-(3-buten-1-yl)-2-(2-naphthalenylthio)-
CAS No: 121851-32-9 Catalog No: AG001658 MDL No:
Product Description
Catalog Number:
AG001658
Chemical Name:
2-Cyclohexen-1-one, 3-(3-buten-1-yl)-2-(2-naphthalenylthio)-
CAS Number:
121851-32-9
Molecular Formula:
C20H20OS
Molecular Weight:
308.4372
IUPAC Name:
3-but-3-enyl-2-naphthalen-2-ylsulfanylcyclohex-2-en-1-one
InChI:
InChI=1S/C20H20OS/c1-2-3-7-16-10-6-11-19(21)20(16)22-18-13-12-15-8-4-5-9-17(15)14-18/h2,4-5,8-9,12-14H,1,3,6-7,10-11H2
InChI Key:
GPHLZSXQCSZUJT-UHFFFAOYSA-N
SMILES:
C=CCCC1=C(Sc2ccc3c(c2)cccc3)C(=O)CCC1
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.123g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.439g/mol
Monoisotopic Mass:
308.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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