Benzeneacetic acid, 4-(1,3-dithiolan-2-yl)-alpha-methyl-
Basic information
- CAS
43153-09-9- Standard SMILES
CC(C(=O)O)c1ccc(C2SCCS2)cc1- InChIKey
DJTZSGUITGHJEF-UHFFFAOYSA-N- Molecular formula
- C12H14O2S2
- Average molar mass
- 254.4 g/mol
- Monoisotopic mass
- 254.04352203
Names & identifiers
- Preferred name
- Benzeneacetic acid, 4-(1,3-dithiolan-2-yl)-alpha-methyl-
- IUPAC
- 2-[4-(1,3-dithiolan-2-yl)phenyl]propanoic acid
Names & synonyms
43153-09-94-(1,3-Dithiolan-2-yl)-alpha-methylbenzeneacetic acidBenzeneacetic acid, 4-(1,3-dithiolan-2-yl)-alpha-methyl-Acide ((dithiolanne-2,5)-4' phenyl)-2 propionique [French]Acide ((dithiolanne-2,5)-4' phenyl)-2 propioniqueRefChem:3241622-[4-(1,3-dithiolan-2-yl)phenyl]propanoic acidDTXSID80962930
Database identifiers
- CAS
43153-09-9- PubChem CID
- 206205
- DTXSID
DTXSID80962930
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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