3-Acetamido-5-methoxybenzoic acid
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Basic information
- CAS
78238-03-6- Standard SMILES
COc1cc(NC(C)=O)cc(C(=O)O)c1- InChIKey
CUTDJCLTOMWNGD-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Names & identifiers
- Preferred name
- 3-Acetamido-5-methoxybenzoic acid
- IUPAC
- 3-acetamido-5-methoxybenzoic acid
- English name
- 3-METHOXY-5-ACETYLAMINO-BENZOIC ACID
- Molecular formula
- C10H11NO4
- Molecular weight
- 209.2
Names & synonyms
3-acetamido-5-methoxybenzoic acid78238-03-63-Acetylamino-5-Methoxybenzoic AcidMFCD002204693-METHOXY-5-ACETYLAMINO-BENZOIC ACID3-METHOXY-5-ACETYLAMINOBENZOIC ACID3-acetamido-5-methoxy-benzoic Acid3-(acetylamino)-5-methoxybenzoic acidOprea1_440859SCHEMBL38755033-acetamido-5-methoxybenzoicacidDTXSID60404449
Show more names
Benzoic acid,3-(acetylamino)-5-methoxy-
AKOS015891182AS-44360DB-006483ST50979838A11247EN300-9428298F795045
Database identifiers
- CAS
78238-03-6- PubChem CID
- 4576741
- DTXSID
DTXSID60404449
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 239 · 239-241 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 465.5 · 465.5±35.0 °C(Predicted)
- Density
- 1.315 · 1.315±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.87 · 3.87±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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