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246540-50-1 | 1H-Pyrrole, 2,5-dihydro-1-(methylsulfonyl)-
CAS No: 246540-50-1 Catalog No: AG002OY7 MDL No:MFCD21609667
Product Description
Catalog Number:
AG002OY7
Chemical Name:
1H-Pyrrole, 2,5-dihydro-1-(methylsulfonyl)-
CAS Number:
246540-50-1
Molecular Formula:
C5H9NO2S
Molecular Weight:
147.1955
MDL Number:
MFCD21609667
IUPAC Name:
1-methylsulfonyl-2,5-dihydropyrrole
InChI:
InChI=1S/C5H9NO2S/c1-9(7,8)6-4-2-3-5-6/h2-3H,4-5H2,1H3
InChI Key:
MYAFMESORGRBTJ-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)N1CC=CC1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.035g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.192g/mol
Monoisotopic Mass:
147.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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