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1333771-11-1 | 3-methanesulfonyl-1,2,5,6,7,8-hexahydroquinoline-2,5-dione
CAS No: 1333771-11-1 Catalog No: AG01EJXT MDL No:MFCD19982409
Product Description
Catalog Number:
AG01EJXT
Chemical Name:
3-methanesulfonyl-1,2,5,6,7,8-hexahydroquinoline-2,5-dione
CAS Number:
1333771-11-1
Molecular Formula:
C10H11NO4S
Molecular Weight:
241.2636
MDL Number:
MFCD19982409
IUPAC Name:
3-methylsulfonyl-1,6,7,8-tetrahydroquinoline-2,5-dione
InChI:
InChI=1S/C10H11NO4S/c1-16(14,15)9-5-6-7(11-10(9)13)3-2-4-8(6)12/h5H,2-4H2,1H3,(H,11,13)
InChI Key:
PXHOMHHSMLQWEL-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1cc(c(=O)[nH]2)S(=O)(=O)C
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.261g/mol
Monoisotopic Mass:
241.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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