2-Hydroxy-2-(3-nitrophenyl)acetic acid
Basic information
- CAS
42164-79-4- Standard SMILES
O=C(O)C(O)c1cccc([N+](=O)[O-])c1- InChIKey
KNSULVUQBMUBCX-UHFFFAOYSA-N- Molecular formula
- C8H7NO5
- Average molar mass
- 197.14 g/mol
- Monoisotopic mass
- 197.03242232
Names & identifiers
- Preferred name
- 2-Hydroxy-2-(3-nitrophenyl)acetic acid
- IUPAC
- 2-hydroxy-2-(3-nitrophenyl)acetic acid
- English name
- α-Hydroxy-3-nitrobenzeneacetic acid
- Molecular formula
- C8H7NO5
- Molecular weight
- 197.14
Names & synonyms
2-hydroxy-2-(3-nitrophenyl)acetic acid42164-79-43-nitromandelic acidMFCD00041429NSC10987alpha-Hydroxy-3-nitrobenzeneacetic acidHYDROXY(3-NITROPHENYL)ACETIC ACIDBenzeneacetic acid, alpha-hydroxy-3-nitro-Oprea1_740803SCHEMBL742437CHEMBL3247388SCHEMBL13398884
Show more names
α-Hydroxy-3-nitrobenzeneacetic acidBenzeneacetic acid, α-hydroxy-3-nitro-
DTXSID10278995NSC-10987AKOS0219830572-hydroxy-2-(3-nitrophenyl)aceticacidDS-9135SY090483DS-004179CS-0156983
Database identifiers
- CAS
42164-79-4- PubChem CID
- 223373
- DTXSID
DTXSID10278995- ChEMBL
CHEMBL3247388- Nikkaji
- J267.315K
Properties
Computed structural properties
- XLogP
- 0.7
- 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
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Off-white to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-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-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
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Related reactions
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Compound notes
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