Basic information
- CAS
326618-56-8- Standard SMILES
Cc1c(OCc2ccc(C(=O)O)cc2)ccc2c(-c3ccccc3)cc(=O)oc12- InChIKey
RJHRYKLWXYURLL-UHFFFAOYSA-N- Molecular formula
- C24H18O5
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.11542367
Names & identifiers
- Preferred name
- 4-{[(8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]methyl}benzoic acid
- IUPAC
- 4-[(8-methyl-2-oxo-4-phenylchromen-7-yl)oxymethyl]benzoic acid
Names & synonyms
4-{[(8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]methyl}benzoic acid326618-56-84-(((8-METHYL-2-OXO-4-PHENYL-2H-CHROMEN-7-YL)OXY)METHYL)BENZOIC ACIDOprea1_868294MLS000777289CHEMBL1510335HMS2770C08KUC106586N4-[(8-methyl-2-oxo-4-phenylchromen-7-yl)oxymethyl]benzoic acidKSC-09-210ASTK716670AKOS001031569
Show more names
SMR000413684SR-01000442900SR-01000442900-1Z567818854-(8-Methyl-2-oxo-4-phenyl-2H-chromen-7-yloxymethyl)-benzoic acid4-{[(8-methyl-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]methyl}benzoic acid
Database identifiers
- CAS
326618-56-8- PubChem CID
- 978413
- ChEMBL
CHEMBL1510335- EC Number
- 144-181-5
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 627
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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