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116007-10-4 | 4(5H)-Benzoxazolone, 6-[2-(ethylsulfinyl)propyl]-6,7-dihydro-2-propyl-
CAS No: 116007-10-4 Catalog No: AG000BCY MDL No:
Product Description
Catalog Number:
AG000BCY
Chemical Name:
4(5H)-Benzoxazolone, 6-[2-(ethylsulfinyl)propyl]-6,7-dihydro-2-propyl-
CAS Number:
116007-10-4
Molecular Formula:
C15H23NO3S
Molecular Weight:
297.4130
IUPAC Name:
6-(2-ethylsulfinylpropyl)-2-propyl-6,7-dihydro-5H-1,3-benzoxazol-4-one
InChI:
InChI=1S/C15H23NO3S/c1-4-6-14-16-15-12(17)8-11(9-13(15)19-14)7-10(3)20(18)5-2/h10-11H,4-9H2,1-3H3
InChI Key:
NAZWBDBUNHROBT-UHFFFAOYSA-N
SMILES:
CCCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)CC)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.14g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.413g/mol
Monoisotopic Mass:
297.14g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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