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Home > Other Heterocycles > 81842-04-8
81842-04-8 | 1,4-Dioxaspiro[4.5]dec-7-ene, 8-[3-(phenylthio)propyl]-
CAS No: 81842-04-8 Catalog No: AG005HTU MDL No:
Product Description
Catalog Number:
AG005HTU
Chemical Name:
1,4-Dioxaspiro[4.5]dec-7-ene, 8-[3-(phenylthio)propyl]-
CAS Number:
81842-04-8
Molecular Formula:
C17H22O2S
Molecular Weight:
290.4204
IUPAC Name:
8-(3-phenylsulfanylpropyl)-1,4-dioxaspiro[4.5]dec-7-ene
InChI:
InChI=1S/C17H22O2S/c1-2-6-16(7-3-1)20-14-4-5-15-8-10-17(11-9-15)18-12-13-19-17/h1-3,6-8H,4-5,9-14H2
InChI Key:
QQFRKRWAEUZJLG-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)SCCCC1=CCC2(CC1)OCCO2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.134g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.421g/mol
Monoisotopic Mass:
290.134g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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