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Home > Pyridines > 2059992-94-6
2059992-94-6 | 6-(pyridin-2-yl)-7-oxa-3lambda6-thiabicyclo[4.1.0]heptane-3,3-dione
CAS No: 2059992-94-6 Catalog No: AG01BQDO MDL No:MFCD30501316
Product Description
Catalog Number:
AG01BQDO
Chemical Name:
6-(pyridin-2-yl)-7-oxa-3lambda6-thiabicyclo[4.1.0]heptane-3,3-dione
CAS Number:
2059992-94-6
Molecular Formula:
C10H11NO3S
Molecular Weight:
225.2642
MDL Number:
MFCD30501316
IUPAC Name:
6-pyridin-2-yl-7-oxa-3λ6-thiabicyclo[4.1.0]heptane 3,3-dioxide
InChI:
InChI=1S/C10H11NO3S/c12-15(13)6-4-10(9(7-15)14-10)8-3-1-2-5-11-8/h1-3,5,9H,4,6-7H2
InChI Key:
JPTAOSHAPUTMQZ-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCC2(C(C1)O2)c1ccccn1
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.262g/mol
Monoisotopic Mass:
225.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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