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1014087-16-1 | 7'-Benzyl-6'-methyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-8'-thione
CAS No: 1014087-16-1 Catalog No: AG00H9H0 MDL No:
Product Description
Catalog Number:
AG00H9H0
Chemical Name:
7'-Benzyl-6'-methyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-8'-thione
CAS Number:
1014087-16-1
IUPAC Name:
7-benzyl-6-methylspiro[3,4-dihydropyrano[3,2-g]chromene-2,1'-cyclohexane]-8-thione
InChI:
InChI=1S/C25H26O2S/c1-17-20-15-19-10-13-25(11-6-3-7-12-25)27-22(19)16-23(20)26-24(28)21(17)14-18-8-4-2-5-9-18/h2,4-5,8-9,15-16H,3,6-7,10-14H2,1H3
InChI Key:
XMLXNHPOTPHAOO-UHFFFAOYSA-N
Properties
Complexity:
627
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.165g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.541g/mol
Monoisotopic Mass:
390.165g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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