Basic information
- CAS
75852-47-0- Standard SMILES
COc1ccc(-c2cc(N)cc(CC(=O)O)c2)cc1- InChIKey
LBCNEMKATYAVOO-UHFFFAOYSA-N- Molecular formula
- C15H15NO3
- Average molar mass
- 257.28 g/mol
- Monoisotopic mass
- 257.10519334
Names & identifiers
- Preferred name
- 3-Biphenylacetic acid, 5-amino-4'-methoxy-
- IUPAC
- 2-[3-amino-5-(4-methoxyphenyl)phenyl]acetic acid
- English name
- 5-Amino-4'-methoxy-3-biphenylacetic acid
- Molecular formula
- C15H15NO3
- Molecular weight
- 257.28
Names & synonyms
BRN 52747813-BIPHENYLACETIC ACID, 5-AMINO-4'-METHOXY-75852-47-05-Amino-4'-methoxy-3-biphenylacetic acidDTXSID30226751RefChem:277111DTXCID60149242CHEMBL142435(5-Amino-4'-methoxy[1,1'-biphenyl]-3-yl)acetic acid[1,1'-Biphenyl]-3-acetic acid, 5-amino-4'-methoxy-
Database identifiers
- CAS
75852-47-0- PubChem CID
- 53373
- DTXSID
DTXSID30226751- ChEMBL
CHEMBL142435- Nikkaji
- J78.969K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Melting point
- 179 · 179-181 °C(Solv: methanol (67-56-1))
- Boiling point
- 490.8 · 490.8±45.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- pka
- 4.35 · 4.35±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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