Basic information
- CAS
4618-47-7- Standard SMILES
CCc1cccc(C(O)(C(=O)O)c2ccccc2)c1N(C)C.O=C(O)C(O)c1ccccc1- InChIKey
BKEKZFSQSWMESG-UHFFFAOYSA-N- Molecular formula
- C26H29NO6
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.19948764
Names & identifiers
- Preferred name
- Einecs 225-028-2
- IUPAC
- 2-[2-(dimethylamino)-3-ethylphenyl]-2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylacetic acid
Names & synonyms
EINECS 225-028-24618-47-7Phenylglycolic acid, compound with 2-(dimethylamino)ethyl-alpha-hydroxy-alpha-phenylbenzeneacetate (1:1)DTXSID70963517[2-(Dimethylamino)-3-ethylphenyl](hydroxy)(phenyl)acetic acid--hydroxy(phenyl)acetic acid (1/1)[2-(Dimethylamino)-3-ethylphenyl](hydroxy)phenylacetic acid--hydroxy(phenyl)acetic acid (1/1)
Database identifiers
- CAS
4618-47-7- PubChem CID
- 6452045
- DTXSID
DTXSID70963517- EC Number
- 225-028-2
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 517
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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