[(5Z)-cyclodec-5-en-1-yl] 4-nitrobenzoate
Basic information
- CAS
35712-84-6- Standard SMILES
O=C(OC1CCC/C=C\CCCC1)c1ccc([N+](=O)[O-])cc1- InChIKey
AOXGZHUREMOWOR-UPHRSURJSA-N- Molecular formula
- C17H21NO4
- Average molar mass
- 303.35 g/mol
- Monoisotopic mass
- 303.14705815
Names & identifiers
- Preferred name
- [(5Z)-cyclodec-5-en-1-yl] 4-nitrobenzoate
- IUPAC
- [(5Z)-cyclodec-5-en-1-yl] 4-nitrobenzoate
Names & synonyms
NSC10830035712-84-6DTXSID30418997NSC-108300(5Z)-Cyclodec-5-en-1-yl 4-nitrobenzoate
Database identifiers
- CAS
35712-84-6- PubChem CID
- 5380973
- DTXSID
DTXSID30418997
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 394
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Compound notes
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