Basic information
- CAS
1818-05-9- Standard SMILES
CCCOC(=O)c1ccc(C(=O)[O-])cc1- InChIKey
XHLATTBMSGXSFT-UHFFFAOYSA-M- Molecular formula
- C11H11O4-
- Average molar mass
- 207.2 g/mol
- Monoisotopic mass
- 207.06573383
Names & identifiers
- Preferred name
- 4-(Propoxycarbonyl)benzoate
- IUPAC
- 4-propoxycarbonylbenzoate
Names & synonyms
1818-05-94-(Propoxycarbonyl)benzoateDTXSID30626590
Database identifiers
- CAS
1818-05-9- PubChem CID
- 22571207
- DTXSID
DTXSID30626590
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- -1
- Complexity
- 223
Related reactions
1 records
Compound notes
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