(1,1'-Biphenyl)-4-YL 3,4-dimethoxybenzoate
Basic information
- CAS
329219-52-5- Standard SMILES
COc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1OC- InChIKey
CMHQVVGKBWFURG-UHFFFAOYSA-N- Molecular formula
- C21H18O4
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.12050905
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-4-YL 3,4-dimethoxybenzoate
- IUPAC
- (4-phenylphenyl) 3,4-dimethoxybenzoate
Names & synonyms
329219-52-5[1,1'-Biphenyl]-4-yl 3,4-dimethoxybenzoate(1,1'-biphenyl)-4-yl 3,4-dimethoxybenzoateRefChem:391138662-491-34-biphenylyl 3,4-dimethoxybenzoateOprea1_311511biphenyl-4-yl 3,4-dimethoxybenzoateSTK0327194-phenylphenyl 3,4-dimethoxybenzoateAKOS002964301ST004406
Database identifiers
- CAS
329219-52-5- PubChem CID
- 693029
- EC Number
- 662-491-3
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 410
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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