4-Amino-2-methoxy-5-nitrobenzoic acid
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Basic information
- CAS
59338-90-8- Standard SMILES
COc1cc(N)c([N+](=O)[O-])cc1C(=O)O- InChIKey
AOANPIGDKLHHIC-UHFFFAOYSA-N- Molecular formula
- C8H8N2O5
- Average molar mass
- 212.16 g/mol
- Monoisotopic mass
- 212.04332136
Names & identifiers
- Preferred name
- 4-Amino-2-methoxy-5-nitrobenzoic acid
- IUPAC
- 4-amino-2-methoxy-5-nitrobenzoic acid
- English name
- 4-amino-5-nitro-o-anisic acid
- Molecular formula
- C8H8N2O5
- Molecular weight
- 212.16
Names & synonyms
4-amino-2-methoxy-5-nitrobenzoic acid59338-90-84-Amino-5-nitro-o-anisic acidDTXSID30974760RefChem:1070236DTXCID801402184261-706-44-Amino-2-methoxy-5-nitro-benzoic acid2-methoxy-4-amino-5-nitrobenzoic acidMFCD09908199EINECS 261-706-4V2NV7AXU6T
Show more names
SCHEMBL17258044-amino-2-methoxy-5-nitrobenzoateJCA338904-amino-2-methoxy-5-nitrobenzoicacidAKOS015889990SB792872-methoxy-4-amino-5-nitro benzoic acidBenzoic acid, 4-amino-2-methoxy-5-nitro-
Database identifiers
- CAS
59338-90-8- PubChem CID
- 101016
- DTXSID
DTXSID30974760- UNII
- V2NV7AXU6T
- EC Number
- 261-706-4
- Nikkaji
- J308.665H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Melting point
- 248 °C · 248 °C
- Boiling point
- 461.6 · 461.6±45.0 °C(Predicted)
- Density
- 1.514 · 1.514±0.06 g/cm3(Predicted)
- pka
- 4.05 · 4.05±0.12(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
9 records
Compound notes
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