Benzenepropanoic acid, 2,4-dinitrophenyl ester
Basic information
- CAS
23522-80-7- Standard SMILES
O=C(CCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
UFMWXKFBOFTLSP-UHFFFAOYSA-N- Molecular formula
- C15H12N2O6
- Average molar mass
- 316.26 g/mol
- Monoisotopic mass
- 316.06953611
Names & identifiers
- Preferred name
- Benzenepropanoic acid, 2,4-dinitrophenyl ester
- IUPAC
- (2,4-dinitrophenyl) 3-phenylpropanoate
Names & synonyms
Benzenepropanoic acid, 2,4-dinitrophenyl ester23522-80-7DTXSID00340271RefChem:325120DTXCID202913522,4-Dinitrophenyl 3-phenylpropanoateUFMWXKFBOFTLSP-UHFFFAOYSA-N2,4-Dinitrophenyl 3-phenylpropanoate #2,4-Dinitrophenyl-.beta.-phenylpropionate
Database identifiers
- CAS
23522-80-7- PubChem CID
- 563159
- DTXSID
DTXSID00340271
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 438
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Related reactions
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Compound notes
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