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86381-47-7 | 1,4-Dithiaspiro[4.4]non-6-ene-6-carboxaldehyde, 8-(benzoyloxy)-, (R)-
CAS No: 86381-47-7 Catalog No: AG008GGR MDL No:
Product Description
Catalog Number:
AG008GGR
Chemical Name:
1,4-Dithiaspiro[4.4]non-6-ene-6-carboxaldehyde, 8-(benzoyloxy)-, (R)-
CAS Number:
86381-47-7
Molecular Formula:
C15H14O3S2
Molecular Weight:
306.3999
IUPAC Name:
[(7R)-9-formyl-1,4-dithiaspiro[4.4]non-8-en-7-yl] benzoate
InChI:
InChI=1S/C15H14O3S2/c16-10-12-8-13(9-15(12)19-6-7-20-15)18-14(17)11-4-2-1-3-5-11/h1-5,8,10,13H,6-7,9H2/t13-/m0/s1
InChI Key:
RVEOGRUTGMXBAV-ZDUSSCGKSA-N
SMILES:
O=CC1=C[C@@H](CC21SCCS2)OC(=O)c1ccccc1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
306.038g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.394g/mol
Monoisotopic Mass:
306.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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