Name: Name:3-(4-Methyl-1-piperazinyl)-4-(methylsulfonyl)benzoic acid
Brand: Angene
SKU: AG000PJ8
Rating: 90 (10 reviews)

3-(4-Methyl-1-piperazinyl)-4-(methylsulfonyl)benzoic acid

CAS No.:

1197193-05-7

Catalog Number:

AG000PJ8

Molecular Formula:

C13H18N2O4S

Molecular Weight:

298.3580

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Catalog Number:

AG000PJ8

Chemical Name:

3-(4-Methyl-1-piperazinyl)-4-(methylsulfonyl)benzoic acid

CAS Number:

1197193-05-7

Molecular Formula:

C13H18N2O4S

Molecular Weight:

298.3580

MDL Number:

MFCD13191610

IUPAC Name:

3-(4-methylpiperazin-1-yl)-4-methylsulfonylbenzoic acid

InChI:

InChI=1S/C13H18N2O4S/c1-14-5-7-15(8-6-14)11-9-10(13(16)17)3-4-12(11)20(2,18)19/h3-4,9H,5-8H2,1-2H3,(H,16,17)

InChI Key:

VZCBSTYAURPPKO-UHFFFAOYSA-N

SMILES:

CN1CCN(CC1)c1cc(ccc1S(=O)(=O)C)C(=O)O

Complexity:

452

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

298.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

298.357g/mol

Monoisotopic Mass:

298.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.7