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1017-50-1 | 1-Pyrrolidinesulfonic acid, phenyl ester
CAS No: 1017-50-1 Catalog No: AG000598 MDL No:
Product Description
Catalog Number:
AG000598
Chemical Name:
1-Pyrrolidinesulfonic acid, phenyl ester
CAS Number:
1017-50-1
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
IUPAC Name:
phenyl pyrrolidine-1-sulfonate
InChI:
InChI=1S/C10H13NO3S/c12-15(13,11-8-4-5-9-11)14-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChI Key:
LXGCVSBBIPBFBG-UHFFFAOYSA-N
SMILES:
O=S(=O)(N1CCCC1)Oc1ccccc1
Properties
Complexity:
284
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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.278g/mol
Monoisotopic Mass:
227.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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