Basic information
- CAS
61234-43-3- Standard SMILES
COc1ccc(OC(C)=O)cc1C(=O)O- InChIKey
KYPCBDKFSYMLLE-UHFFFAOYSA-N- Molecular formula
- C10H10O5
- Average molar mass
- 210.18 g/mol
- Monoisotopic mass
- 210.05282342
Names & identifiers
- Preferred name
- 5-(Acetyloxy)-2-methoxybenzoic acid
- IUPAC
- 5-acetyloxy-2-methoxybenzoic acid
Names & synonyms
61234-43-35-(acetyloxy)-2-methoxybenzoic acidNSC95694NCIOpen2_006072DTXSID90294279NSC-95694
Database identifiers
- CAS
61234-43-3- PubChem CID
- 262247
- DTXSID
DTXSID90294279
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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