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139644-71-6 | 2-Pyrrolidinemethanesulfonic acid
CAS No: 139644-71-6 Catalog No: AG001BFM MDL No:
Product Description
Catalog Number:
AG001BFM
Chemical Name:
2-Pyrrolidinemethanesulfonic acid
CAS Number:
139644-71-6
Molecular Formula:
C5H11NO3S
Molecular Weight:
165.2107
IUPAC Name:
pyrrolidin-2-ylmethanesulfonic acid
InChI:
InChI=1S/C5H11NO3S/c7-10(8,9)4-5-2-1-3-6-5/h5-6H,1-4H2,(H,7,8,9)
InChI Key:
JYFHRLOWRFUNPU-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)CC1CCCN1
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.046g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.207g/mol
Monoisotopic Mass:
165.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
Literature
| Title | Journal |
|---|---|
| Synthesis and activity of endomorphin-2 and morphiceptin analogues with proline surrogates in position 2. | European journal of medicinal chemistry 20101001 |
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