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Home > Other Heterocycles > 2059945-23-0
2059945-23-0 | 6-(1-methyl-1H-pyrrol-2-yl)-7-oxa-3lambda6-thiabicyclo[4.1.0]heptane-3,3-dione
CAS No: 2059945-23-0 Catalog No: AG01BQD2 MDL No:MFCD30501294
Product Description
Catalog Number:
AG01BQD2
Chemical Name:
6-(1-methyl-1H-pyrrol-2-yl)-7-oxa-3lambda6-thiabicyclo[4.1.0]heptane-3,3-dione
CAS Number:
2059945-23-0
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
MDL Number:
MFCD30501294
IUPAC Name:
6-(1-methylpyrrol-2-yl)-7-oxa-3λ6-thiabicyclo[4.1.0]heptane 3,3-dioxide
InChI:
InChI=1S/C10H13NO3S/c1-11-5-2-3-8(11)10-4-6-15(12,13)7-9(10)14-10/h2-3,5,9H,4,6-7H2,1H3
InChI Key:
BPVROSZJMJJXNI-UHFFFAOYSA-N
SMILES:
Cn1cccc1C12CCS(=O)(=O)CC2O1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.278g/mol
Monoisotopic Mass:
227.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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