5-Acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid
Basic information
- CAS
55712-79-3- Standard SMILES
COC1C(C(=O)O)=CC=CC1OC(C)=O- InChIKey
IDJYGRCSOPVEPD-UHFFFAOYSA-N- Molecular formula
- C10H12O5
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.06847348
Names & identifiers
- Preferred name
- 5-Acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid
- IUPAC
- 5-acetyloxy-6-methoxycyclohexa-1,3-diene-1-carboxylic acid
Names & synonyms
NSC16978555712-79-3DTXSID70305216NSC-1697851, 5-(acetyloxy)-6-methoxy-, trans-5-(Acetyloxy)-6-methoxycyclohexa-1,3-diene-1-carboxylic acid
Database identifiers
- CAS
55712-79-3- PubChem CID
- 298079
- DTXSID
DTXSID70305216
Properties
Computed structural properties
- XLogP
- 0.3
- 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
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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