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Home > Other Heterocycles > 853997-76-9
853997-76-9 | 6-Oxabicyclo[3.1.0]hexan-2-one, 1-[(4-methylphenyl)sulfonyl]-
CAS No: 853997-76-9 Catalog No: AG004TLZ MDL No:
Product Description
Catalog Number:
AG004TLZ
Chemical Name:
6-Oxabicyclo[3.1.0]hexan-2-one, 1-[(4-methylphenyl)sulfonyl]-
CAS Number:
853997-76-9
Molecular Formula:
C12H12O4S
Molecular Weight:
252.2863
IUPAC Name:
1-(4-methylphenyl)sulfonyl-6-oxabicyclo[3.1.0]hexan-2-one
InChI:
InChI=1S/C12H12O4S/c1-8-2-4-9(5-3-8)17(14,15)12-10(13)6-7-11(12)16-12/h2-5,11H,6-7H2,1H3
InChI Key:
GGIZNVPTGCANAN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)C12OC2CCC1=O
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.284g/mol
Monoisotopic Mass:
252.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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