Ethyl 2-[4-(2-nitroprop-1-enyl)naphthalen-1-yl]oxyacetate
Basic information
- CAS
16861-34-0- Standard SMILES
CCOC(=O)COc1ccc(C=C(C)[N+](=O)[O-])c2ccccc12- InChIKey
QCWITBLXLXGWBQ-UHFFFAOYSA-N- Molecular formula
- C17H17NO5
- Average molar mass
- 315.32 g/mol
- Monoisotopic mass
- 315.11067264
Names & identifiers
- Preferred name
- Ethyl 2-[4-(2-nitroprop-1-enyl)naphthalen-1-yl]oxyacetate
- IUPAC
- ethyl 2-[4-(2-nitroprop-1-enyl)naphthalen-1-yl]oxyacetate
Names & synonyms
16861-34-0ethyl 2-[4-(2-nitroprop-1-enyl)naphthalen-1-yl]oxyacetateDTXSID50317135Acetic acid,2-[[4-(2-nitro-1-propen-1-yl)-1-naphthalenyl]oxy]-, ethyl esterDS-006365Ethyl {[4-(2-nitroprop-1-en-1-yl)naphthalen-1-yl]oxy}acetate
Database identifiers
- CAS
16861-34-0- PubChem CID
- 329358
- DTXSID
DTXSID50317135
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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