Basic information
- CAS
318269-97-5- Standard SMILES
COc1cccc(C(N)C(=O)O)c1O- InChIKey
WHIGJPQZRDLSHZ-UHFFFAOYSA-N- Molecular formula
- C9H11NO4
- Average molar mass
- 197.19 g/mol
- Monoisotopic mass
- 197.06880783
Names & identifiers
- Preferred name
- 2-Amino-2-(2-hydroxy-3-methoxyphenyl)acetic acid
- IUPAC
- 2-amino-2-(2-hydroxy-3-methoxyphenyl)acetic acid
- English name
- Amino-(2-hydroxy-3-methoxy-phenyl)-acetic acid
- Molecular formula
- C9H11NO4
- Molecular weight
- 197.19
Names & synonyms
318269-97-52-amino-2-(2-hydroxy-3-methoxyphenyl)acetic acidDTXSID50697489AKOS006286418DB-350984Amino(2-hydroxy-3-methoxyphenyl)acetic acidAmino-(2-hydroxy-3-methoxy-phenyl)-aceticacidEN300-1850257Amino-(2-hydroxy-3-methoxy-phenyl)-acetic acidBenzeneacetic acid, α-amino-2-hydroxy-3-methoxy-
Database identifiers
- CAS
318269-97-5- PubChem CID
- 53419082
- DTXSID
DTXSID50697489
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 381.5 · 381.5±42.0 °C(Predicted)
- Density
- 1.371 · 1.371±0.06 g/cm3(Predicted)
- pka
- 1.71 · 1.71±0.10(Predicted)
Chemistry & industry
Suppliers1 total
BETAPHARMA[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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