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90105-16-1 | Spiro[2H-indene-2,2'-oxirane]-1,3-dione, 3'-[4-(methylthio)phenyl]-
CAS No: 90105-16-1 Catalog No: AG006JDY MDL No:
Product Description
Catalog Number:
AG006JDY
Chemical Name:
Spiro[2H-indene-2,2'-oxirane]-1,3-dione, 3'-[4-(methylthio)phenyl]-
CAS Number:
90105-16-1
Molecular Formula:
C17H12O3S
Molecular Weight:
296.3404
IUPAC Name:
3'-(4-methylsulfanylphenyl)spiro[indene-2,2'-oxirane]-1,3-dione
InChI:
InChI=1S/C17H12O3S/c1-21-11-8-6-10(7-9-11)16-17(20-16)14(18)12-4-2-3-5-13(12)15(17)19/h2-9,16H,1H3
InChI Key:
RSQVYBRWAXIESP-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)C1OC21C(=O)c1c(C2=O)cccc1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.051g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.34g/mol
Monoisotopic Mass:
296.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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