Carbonic acid, o-carboxyphenyl propyl ester
Basic information
- CAS
71974-03-3- Standard SMILES
CCCOC(=O)Oc1ccccc1C(=O)O- InChIKey
GQJSQEUBPFWQCU-UHFFFAOYSA-N- Molecular formula
- C11H12O5
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.06847348
Names & identifiers
- Preferred name
- Carbonic acid, o-carboxyphenyl propyl ester
- IUPAC
- 2-propoxycarbonyloxybenzoic acid
Names & synonyms
CARBONIC ACID, o-CARBOXYPHENYL PROPYL ESTERo-Carboxyphenyl carbonic acid propyl esterBenzoic acid, 2-((propoxycarbonyl)oxy)-71974-03-3DTXSID90222259RefChem:333426DTXCID401447502-[(Propoxycarbonyl)oxy]benzoic acid
Database identifiers
- CAS
71974-03-3- PubChem CID
- 51460
- DTXSID
DTXSID90222259
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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