Name: Name:3-(4-methoxybenzenesulfonyl)-2-methylpropanoic acid
Brand: Angene
SKU: AG01AJ16
Rating: 90 (10 reviews)

3-(4-methoxybenzenesulfonyl)-2-methylpropanoic acid

CAS No.:

205504-66-1

Catalog Number:

AG01AJ16

Molecular Formula:

C11H14O5S

Molecular Weight:

258.2909

Catalog Number:

AG01AJ16

Chemical Name:

3-(4-methoxybenzenesulfonyl)-2-methylpropanoic acid

CAS Number:

205504-66-1

Molecular Formula:

C11H14O5S

Molecular Weight:

258.2909

MDL Number:

MFCD10024399

IUPAC Name:

3-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid

InChI:

InChI=1S/C11H14O5S/c1-8(11(12)13)7-17(14,15)10-5-3-9(16-2)4-6-10/h3-6,8H,7H2,1-2H3,(H,12,13)

InChI Key:

SMSUUKBWVCSLRN-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)S(=O)(=O)CC(C(=O)O)C

Complexity:

349

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.288g/mol

Monoisotopic Mass:

258.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2