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Home > Other Heterocycles > 81841-94-3
81841-94-3 | 1,4-Dioxaspiro[4.5]dec-6-ene, 8-(phenylmethyl)-8-(phenylsulfonyl)-
CAS No: 81841-94-3 Catalog No: AG0056PQ MDL No:
Product Description
Catalog Number:
AG0056PQ
Chemical Name:
1,4-Dioxaspiro[4.5]dec-6-ene, 8-(phenylmethyl)-8-(phenylsulfonyl)-
CAS Number:
81841-94-3
Molecular Formula:
C21H22O4S
Molecular Weight:
370.4620
IUPAC Name:
8-(benzenesulfonyl)-8-benzyl-1,4-dioxaspiro[4.5]dec-6-ene
InChI:
InChI=1S/C21H22O4S/c22-26(23,19-9-5-2-6-10-19)20(17-18-7-3-1-4-8-18)11-13-21(14-12-20)24-15-16-25-21/h1-11,13H,12,14-17H2
InChI Key:
BYRHPVDVFCXTGW-UHFFFAOYSA-N
SMILES:
O=S(=O)(C1(CCC2(C=C1)OCCO2)Cc1ccccc1)c1ccccc1
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.124g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.463g/mol
Monoisotopic Mass:
370.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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