Basic information
- CAS
93878-05-8- Standard SMILES
O=C(O)Cc1ccc(CCc2ccc(CC(=O)O)cc2)cc1- InChIKey
AVKKQLQNLSEZBE-UHFFFAOYSA-N- Molecular formula
- C18H18O4
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.12050905
Names & identifiers
- Preferred name
- 4,4'-Dimethylenebis(phenylacetic acid)
- IUPAC
- 2-[4-[2-[4-(carboxymethyl)phenyl]ethyl]phenyl]acetic acid
Names & synonyms
93878-05-84,4'-dimethylenebis(phenylacetic acid)RefChem:506678651-451-02,2'-(Ethane-1,2-diylbis(4,1-phenylene))diacetic acid(4-(2-(4-(CARBOXYMETHYL)PHENYL)ETHYL)PHENYL)ACETIC ACID(4-{2-[4-(carboxymethyl)phenyl]ethyl}phenyl)acetic acidSCHEMBL2996429AKOS024330514F97882
Database identifiers
- CAS
93878-05-8- PubChem CID
- 4064341
- EC Number
- 651-451-0
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 327
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 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
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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