2-(3-Hydroxy-4-nitrophenyl)acetic acid
Basic information
- CAS
152148-79-3- Standard SMILES
O=C(O)Cc1ccc([N+](=O)[O-])c(O)c1- InChIKey
USYXXSPSICUYRL-UHFFFAOYSA-N- Molecular formula
- C8H7NO5
- Average molar mass
- 197.14 g/mol
Names & identifiers
- Preferred name
- 2-(3-Hydroxy-4-nitrophenyl)acetic acid
- IUPAC
- 2-(3-hydroxy-4-nitrophenyl)acetic acid
- English name
- 2-(3-HYDROXY-4-NITROPHENYL)ACETIC ACID
- Molecular formula
- C8H7NO5
- Molecular weight
- 197.14
Names & synonyms
2-(3-Hydroxy-4-nitrophenyl)acetic acid152148-79-33-hydroxy-4-nitrophenylacetic acidMFCD18397393(3-hydroxy-4-nitrophenyl)acetic acidBenzeneacetic acid, 3-hydroxy-4-nitro-(3-hydroxy-4-nitro-phenyl)-acetic acidSCHEMBL2434953SCHEMBL63796993-hydroxy-4nitrophenylacetic acidUSYXXSPSICUYRL-UHFFFAOYSA-N3-Hydroxy-4-nitrobenzeneacetic acid
Show more names
(3-hydroxy-4-nitro-phenyl)acetic acid2-(3-Hydroxy-4-nitrophenyl)aceticacid2-(3-hydroxy-4-nitro-phenyl)acetic acidBS-50967SY490519DB-289881F30938EN300-1855411
Database identifiers
- CAS
152148-79-3- PubChem CID
- 23508325
- EC Number
- 192-830-6
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Boiling point
- 402.4 · 402.4±30.0 °C(Predicted)
- Density
- 1.55 · 1.550±0.06 g/cm3(Predicted)
- pka
- 3.77 · 3.77±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
12 records
Compound notes
Loading…