Basic information
- CAS
53408-43-8- Standard SMILES
COC(=O)c1ccccc1OCC(O)CO- InChIKey
PJQAOXMMZDKWAJ-UHFFFAOYSA-N- Molecular formula
- C11H14O5
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.08412354
Names & identifiers
- Preferred name
- Methyl 2-(2,3-dihydroxypropoxy)benzoate
- IUPAC
- methyl 2-(2,3-dihydroxypropoxy)benzoate
Names & synonyms
methyl 2-(2,3-dihydroxypropoxy)benzoate53408-43-8DTXSID50968065RefChem:1089293DTXCID5013956532-(2,3-Dihydroxypropoxy)methylbenzoateBRN 3305747BENZOIC ACID, o-(2,3-DIHYDROXYPROPOXY)-, METHYL ESTER4-10-00-00146 (Beilstein Handbook Reference)
Database identifiers
- CAS
53408-43-8- PubChem CID
- 40769
- DTXSID
DTXSID50968065- Nikkaji
- J83.350I
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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