Name: Name:Benzoic acid, 2-methyl-3-(methylsulfonyl)-, methyl ester
Brand: Angene
SKU: AG000OAE
Rating: 90 (10 reviews)

Benzoic acid, 2-methyl-3-(methylsulfonyl)-, methyl ester

CAS No.:

1256633-15-4

Catalog Number:

AG000OAE

Molecular Formula:

C10H12O4S

Molecular Weight:

228.2649

Catalog Number:

AG000OAE

Chemical Name:

Benzoic acid, 2-methyl-3-(methylsulfonyl)-, methyl ester

CAS Number:

1256633-15-4

Molecular Formula:

C10H12O4S

Molecular Weight:

228.2649

MDL Number:

MFCD18071000

IUPAC Name:

methyl 2-methyl-3-methylsulfonylbenzoate

InChI:

InChI=1S/C10H12O4S/c1-7-8(10(11)14-2)5-4-6-9(7)15(3,12)13/h4-6H,1-3H3

InChI Key:

XHFQPCDSXMVFMZ-UHFFFAOYSA-N

SMILES:

COC(=O)c1cccc(c1C)S(=O)(=O)C

Complexity:

328

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.262g/mol

Monoisotopic Mass:

228.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4