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Home > Other Heterocycles > 1133822-72-6
1133822-72-6 | 6'-Butyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-8'-thione
CAS No: 1133822-72-6 Catalog No: AG00HCP3 MDL No:MFCD10007658
Product Description
Catalog Number:
AG00HCP3
Chemical Name:
6'-Butyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-8'-thione
CAS Number:
1133822-72-6
MDL Number:
MFCD10007658
IUPAC Name:
6-butylspiro[3,4-dihydropyrano[3,2-g]chromene-2,1'-cyclohexane]-8-thione
InChI:
InChI=1S/C21H26O2S/c1-2-3-7-15-13-20(24)22-19-14-18-16(12-17(15)19)8-11-21(23-18)9-5-4-6-10-21/h12-14H,2-11H2,1H3
InChI Key:
UMEOXNRPXAPURT-UHFFFAOYSA-N
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.165g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.497g/mol
Monoisotopic Mass:
342.165g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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