Name: Name:4-(Methylsulfonyl)-2-pyrrolidinobenzoic acid
Brand: Angene
SKU: AG000PIY
Rating: 90 (10 reviews)

4-(Methylsulfonyl)-2-pyrrolidinobenzoic acid

CAS No.:

1197193-17-1

Catalog Number:

AG000PIY

Molecular Formula:

C12H15NO4S

Molecular Weight:

269.3168

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Catalog Number:

AG000PIY

Chemical Name:

4-(Methylsulfonyl)-2-pyrrolidinobenzoic acid

CAS Number:

1197193-17-1

Molecular Formula:

C12H15NO4S

Molecular Weight:

269.3168

MDL Number:

MFCD13191613

IUPAC Name:

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

InChI:

InChI=1S/C12H15NO4S/c1-18(16,17)9-4-5-10(12(14)15)11(8-9)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)

InChI Key:

CXDBUSOKXGSVLF-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1N1CCCC1)S(=O)(=O)C

Complexity:

408

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

269.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

269.315g/mol

Monoisotopic Mass:

269.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3