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Home > Other Heterocycles > 123632-88-2
123632-88-2 | 1,4-Dioxa-8-thiaspiro[4.5]decane-2-methanol, 7,9-diphenyl-
CAS No: 123632-88-2 Catalog No: AG000KWZ MDL No:
Product Description
Catalog Number:
AG000KWZ
Chemical Name:
1,4-Dioxa-8-thiaspiro[4.5]decane-2-methanol, 7,9-diphenyl-
CAS Number:
123632-88-2
Molecular Formula:
C20H22O3S
Molecular Weight:
342.4519
IUPAC Name:
(7,9-diphenyl-1,4-dioxa-8-thiaspiro[4.5]decan-3-yl)methanol
InChI:
InChI=1S/C20H22O3S/c21-13-17-14-22-20(23-17)11-18(15-7-3-1-4-8-15)24-19(12-20)16-9-5-2-6-10-16/h1-10,17-19,21H,11-14H2
InChI Key:
RMENCBPIRBTXNL-UHFFFAOYSA-N
SMILES:
OCC1COC2(O1)CC(SC(C2)c1ccccc1)c1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.129g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.453g/mol
Monoisotopic Mass:
342.129g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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