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Home > Other Heterocycles > 2060007-36-3
2060007-36-3 | 6-(1-methyl-1H-pyrazol-5-yl)-7-oxa-3lambda6-thiabicyclo[4.1.0]heptane-3,3-dione
CAS No: 2060007-36-3 Catalog No: AG01BQCO MDL No:MFCD30501280
Product Description
Catalog Number:
AG01BQCO
Chemical Name:
6-(1-methyl-1H-pyrazol-5-yl)-7-oxa-3lambda6-thiabicyclo[4.1.0]heptane-3,3-dione
CAS Number:
2060007-36-3
Molecular Formula:
C9H12N2O3S
Molecular Weight:
228.2682
MDL Number:
MFCD30501280
IUPAC Name:
6-(2-methylpyrazol-3-yl)-7-oxa-3λ6-thiabicyclo[4.1.0]heptane 3,3-dioxide
InChI:
InChI=1S/C9H12N2O3S/c1-11-7(2-4-10-11)9-3-5-15(12,13)6-8(9)14-9/h2,4,8H,3,5-6H2,1H3
InChI Key:
KXPAIIBCNXALRQ-UHFFFAOYSA-N
SMILES:
Cn1nccc1C12CCS(=O)(=O)CC2O1
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.266g/mol
Monoisotopic Mass:
228.057g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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