Name: Name:b-Alanine, N-[(3,4-dimethoxyphenyl)sulfonyl]-
Brand: Angene
SKU: AG019OXJ
Rating: 90 (10 reviews)

b-Alanine, N-[(3,4-dimethoxyphenyl)sulfonyl]-

CAS No.:

746655-80-1

Catalog Number:

AG019OXJ

Molecular Formula:

C11H15NO6S

Molecular Weight:

289.3049

Catalog Number:

AG019OXJ

Chemical Name:

b-Alanine, N-[(3,4-dimethoxyphenyl)sulfonyl]-

CAS Number:

746655-80-1

Molecular Formula:

C11H15NO6S

Molecular Weight:

289.3049

MDL Number:

MFCD08161509

IUPAC Name:

3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoic acid

InChI:

InChI=1S/C11H15NO6S/c1-17-9-4-3-8(7-10(9)18-2)19(15,16)12-6-5-11(13)14/h3-4,7,12H,5-6H2,1-2H3,(H,13,14)

InChI Key:

PAAMXIJQFGQXJN-UHFFFAOYSA-N

SMILES:

COc1cc(ccc1OC)S(=O)(=O)NCCC(=O)O

Complexity:

391

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

289.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

289.302g/mol

Monoisotopic Mass:

289.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

110A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3