Name: Name:3-(3,4-dimethoxybenzenesulfonyl)propanoic acid
Brand: Angene
SKU: AG00VSG9
Rating: 90 (10 reviews)

3-(3,4-dimethoxybenzenesulfonyl)propanoic acid

CAS No.:

100059-84-5

Catalog Number:

AG00VSG9

Molecular Formula:

C11H14O6S

Molecular Weight:

274.2903

Catalog Number:

AG00VSG9

Chemical Name:

3-(3,4-dimethoxybenzenesulfonyl)propanoic acid

CAS Number:

100059-84-5

Molecular Formula:

C11H14O6S

Molecular Weight:

274.2903

MDL Number:

MFCD09893520

IUPAC Name:

3-(3,4-dimethoxyphenyl)sulfonylpropanoic acid

InChI:

InChI=1S/C11H14O6S/c1-16-9-4-3-8(7-10(9)17-2)18(14,15)6-5-11(12)13/h3-4,7H,5-6H2,1-2H3,(H,12,13)

InChI Key:

KRBIPGZIRGLRBB-UHFFFAOYSA-N

SMILES:

COc1cc(ccc1OC)S(=O)(=O)CCC(=O)O

Complexity:

372

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

274.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

274.287g/mol

Monoisotopic Mass:

274.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

98.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6