Chemical ID: 5704969

CCOc1ccc(cc1)C(=O)OCc2cc(cc3c2OCOC3)[N+](=O)[O-]
Chemical ID:
5704969
Name [?]:
(9-nitro-3,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-7-yl)methyl 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)OCc2cc(cc3c2OCOC3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H17NO7
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:3.924
Area:569.664
Solvation:-10.3176
Coulombic:-54.2146
Bond Count [?]
All:28
Single:20
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:359.33
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:3.32
LogP (Chemaxon):3.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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