4-methylsulfonyl-2-pyrrolidin-1-ylbenzoic acid


Chemical Name: 4-methylsulfonyl-2-pyrrolidin-1-ylbenzoic acid
CAS Number: 1197193-17-1
Product Number: AG000PIY(AGN-PC-0BLD4O)
Synonyms:
MDL No: MFCD13191613
Molecular Formula: C12H15NO4S
Molecular Weight: 269.3168

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
269.315g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
269.072g/mol
Monoisotopic Mass:
269.072g/mol
Topological Polar Surface Area:
83.1A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
408
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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