Basic information
- CAS
56207-96-6- Standard SMILES
CC(CO)OC(=O)c1ccccc1C(=O)O- InChIKey
HTSZGPUBODALCL-UHFFFAOYSA-N- Molecular formula
- C11H12O5
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.06847348
Names & identifiers
- Preferred name
- 2-{[(1-Hydroxypropan-2-yl)oxy]carbonyl}benzoic acid
- IUPAC
- 2-(1-hydroxypropan-2-yloxycarbonyl)benzoic acid
Names & synonyms
56207-96-62-{[(1-hydroxypropan-2-yl)oxy]carbonyl}benzoic acidEINECS 260-057-4SCHEMBL6255319DTXSID50971599NS00056034Phthalic acid, monoester with propane-1,2-diol
Database identifiers
- CAS
56207-96-6- PubChem CID
- 92062
- DTXSID
DTXSID50971599- EC Number
- 260-057-4
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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