(4-Nitrophenyl)methyl hydroxy(phenyl)acetate
Basic information
- CAS
4457-24-3- Standard SMILES
O=C(OCc1ccc([N+](=O)[O-])cc1)C(O)c1ccccc1- InChIKey
ORHJGISFXCUNJY-UHFFFAOYSA-N- Molecular formula
- C15H13NO5
- Average molar mass
- 287.27 g/mol
- Monoisotopic mass
- 287.07937252
Names & identifiers
- Preferred name
- (4-Nitrophenyl)methyl hydroxy(phenyl)acetate
- IUPAC
- (4-nitrophenyl)methyl 2-hydroxy-2-phenylacetate
Names & synonyms
4457-24-3NSC404801(4-Nitrophenyl)methyl hydroxy(phenyl)acetateDTXSID60323762NSC-404801
Database identifiers
- CAS
4457-24-3- PubChem CID
- 346541
- DTXSID
DTXSID60323762- Nikkaji
- J587.691E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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