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114715-35-4 | 3-Pyrrolidinol, 1-(phenylmethyl)-, 3-methanesulfonate, (3R)-
CAS No: 114715-35-4 Catalog No: AG000F3S MDL No:
Product Description
Catalog Number:
AG000F3S
Chemical Name:
3-Pyrrolidinol, 1-(phenylmethyl)-, 3-methanesulfonate, (3R)-
CAS Number:
114715-35-4
Molecular Formula:
C12H17NO3S
Molecular Weight:
255.3333
IUPAC Name:
[(3R)-1-benzylpyrrolidin-3-yl] methanesulfonate
InChI:
InChI=1S/C12H17NO3S/c1-17(14,15)16-12-7-8-13(10-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3/t12-/m1/s1
InChI Key:
NZIDTDIDEPGKHB-GFCCVEGCSA-N
SMILES:
CS(=O)(=O)O[C@@H]1CCN(C1)Cc1ccccc1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
255.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.332g/mol
Monoisotopic Mass:
255.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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