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Basic information
- CAS
7477-79-4- Standard SMILES
COc1cc(C2CC=CCC2C(=O)O)cc(OC)c1OC- InChIKey
UOPOSMFGEVBYFG-UHFFFAOYSA-N- Molecular formula
- C16H20O5
- Average molar mass
- 292.33 g/mol
- Monoisotopic mass
- 292.13107373
Names & identifiers
- Preferred name
- 3',4',5'-Trimethoxy-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylic acid
- IUPAC
- 6-(3,4,5-trimethoxyphenyl)cyclohex-3-ene-1-carboxylic acid
- English name
- 6-(3,4,5-trimethoxyphenyl)cyclohex-3-ene-1-carboxylic acid
- Molecular formula
- C16H20O5
- Molecular weight
- 0
Names & synonyms
7477-79-4NSC402816DTXSID20323021NSC-4028163',4',5'-Trimethoxy-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylic acid6-(3,4,5-trimethoxyphenyl)cyclohex-3-ene-1-carboxylic acid
Database identifiers
- CAS
7477-79-4- PubChem CID
- 345293
- DTXSID
DTXSID20323021
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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