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159983-42-3 | 1H-Pyrrole-2-methanol, 2,5-dihydro-3-methyl-1-(phenylsulfonyl)-, (2R)-
CAS No: 159983-42-3 Catalog No: AG001RK3 MDL No:
Product Description
Catalog Number:
AG001RK3
Chemical Name:
1H-Pyrrole-2-methanol, 2,5-dihydro-3-methyl-1-(phenylsulfonyl)-, (2R)-
CAS Number:
159983-42-3
Molecular Formula:
C12H15NO3S
Molecular Weight:
253.3174
IUPAC Name:
[(2R)-1-(benzenesulfonyl)-3-methyl-2,5-dihydropyrrol-2-yl]methanol
InChI:
InChI=1S/C12H15NO3S/c1-10-7-8-13(12(10)9-14)17(15,16)11-5-3-2-4-6-11/h2-7,12,14H,8-9H2,1H3/t12-/m0/s1
InChI Key:
PRZPNOOAJFLQBX-LBPRGKRZSA-N
SMILES:
OC[C@H]1C(=CCN1S(=O)(=O)c1ccccc1)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
253.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.316g/mol
Monoisotopic Mass:
253.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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