Name: Name:5-methanesulfonyl-2-(propan-2-yloxy)benzoic acid
Brand: Angene
SKU: AG01A4NN
Rating: 90 (10 reviews)

5-methanesulfonyl-2-(propan-2-yloxy)benzoic acid

CAS No.:

845616-02-6

Catalog Number:

AG01A4NN

Molecular Formula:

C11H14O5S

Molecular Weight:

258.2909

Catalog Number:

AG01A4NN

Chemical Name:

5-methanesulfonyl-2-(propan-2-yloxy)benzoic acid

CAS Number:

845616-02-6

Molecular Formula:

C11H14O5S

Molecular Weight:

258.2909

MDL Number:

MFCD13194169

IUPAC Name:

5-methylsulfonyl-2-propan-2-yloxybenzoic acid

InChI:

InChI=1S/C11H14O5S/c1-7(2)16-10-5-4-8(17(3,14)15)6-9(10)11(12)13/h4-7H,1-3H3,(H,12,13)

InChI Key:

NWXBHCBBFZOTOQ-UHFFFAOYSA-N

SMILES:

CC(Oc1ccc(cc1C(=O)O)S(=O)(=O)C)C

Complexity:

368

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