Basic information
- CAS
15267-77-3- Standard SMILES
Cc1cc(OCC(=O)O)ccc1S(C)(=O)=O- InChIKey
AZDBNCXFIOWMOS-UHFFFAOYSA-N- Molecular formula
- C10H12O5S
- Average molar mass
- 244.27 g/mol
- Monoisotopic mass
- 244.04054465
Names & identifiers
- Preferred name
- 2-(3-Methyl-4-methylsulfonylphenoxy)acetic acid
- IUPAC
- 2-(3-methyl-4-methylsulfonylphenoxy)acetic acid
- English name
- 2-(3-methyl-4-methylsulfonyl-phenoxy)acetic acid
- Molecular formula
- C10H12O5S
- Molecular weight
- 244.26
Names & synonyms
15267-77-32-(3-methyl-4-methylsulfonylphenoxy)acetic acidAcetic acid,2-[3-methyl-4-(methylsulfonyl)phenoxy]-Acetic acid, ((4-(methylsulfonyl)-m-tolyl)oxy)-MLS-0412047.00012-(3-METHYL-4-METHYLSULFONYL-PHENOXY)ACETIC ACID[3-methyl-4-(methylsulfonyl)phenoxy]acetic acid((4-(Methylsulfonyl)-m-tolyl)oxy)acetic acidOprea1_807274AG-664/25003439cid_27161CHEMBL1734920
Show more names
Acetic acid, 2-[3-methyl-4-(methylsulfonyl)phenoxy]-
BDBM46220DTXSID90165096SBB0998572-(4-mesyl-3-methyl-phenoxy)acetic acid[4-(Methanesulfonyl)-3-methylphenoxy]acetic acid2-(3-methyl-4-methylsulfonyl-phenoxy)ethanoic acid2-[3-methyl-4-(methylsulfonyl)phenoxy]acetic acid
Database identifiers
- CAS
15267-77-3- PubChem CID
- 27161
- DTXSID
DTXSID90165096- ChEMBL
CHEMBL1734920- Nikkaji
- J452.008D
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 343
Experimental & physicochemical properties
LogP0.54
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…