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89030-37-5 | 2H-Pyran-2-one, 4-butyltetrahydro-3-(phenylsulfinyl)-
CAS No: 89030-37-5 Catalog No: AG00434M MDL No:
Product Description
Catalog Number:
AG00434M
Chemical Name:
2H-Pyran-2-one, 4-butyltetrahydro-3-(phenylsulfinyl)-
CAS Number:
89030-37-5
Molecular Formula:
C15H20O3S
Molecular Weight:
280.3825
IUPAC Name:
3-(benzenesulfinyl)-4-butyloxan-2-one
InChI:
InChI=1S/C15H20O3S/c1-2-3-7-12-10-11-18-15(16)14(12)19(17)13-8-5-4-6-9-13/h4-6,8-9,12,14H,2-3,7,10-11H2,1H3
InChI Key:
WPZUIGJQQSTXFW-UHFFFAOYSA-N
SMILES:
CCCCC1CCOC(=O)C1S(=O)c1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.113g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.382g/mol
Monoisotopic Mass:
280.113g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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