2-(4-Methoxyphenyl)sulfanylbenzene-1,3-dicarboxylic acid
Basic information
- CAS
69270-15-1- Standard SMILES
COc1ccc(Sc2c(C(=O)O)cccc2C(=O)O)cc1- InChIKey
YXARAIABZXQLTR-UHFFFAOYSA-N- Molecular formula
- C15H12O5S
- Average molar mass
- 304.3 g/mol
- Monoisotopic mass
- 304.04054465
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)sulfanylbenzene-1,3-dicarboxylic acid
- IUPAC
- 2-(4-methoxyphenyl)sulfanylbenzene-1,3-dicarboxylic acid
Names & synonyms
69270-15-12-(4-methoxyphenyl)sulfanylbenzene-1,3-dicarboxylic acidNSC266284DTXSID40313121NSC-2662842-[(4-Methoxyphenyl)sulfanyl]benzene-1,3-dicarboxylic acid
Database identifiers
- CAS
69270-15-1- PubChem CID
- 320104
- DTXSID
DTXSID40313121
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
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Compound notes
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