Chemical ID: 6913588

Cc1ccc(c(c1)OCc2ccc(o2)C(=O)OC)[N+](=O)[O-]
Chemical ID:
6913588
Name [?]:
methyl 5-[(5-methyl-2-nitro-phenoxy)methyl]furan-2-carboxylate
SMILES [?]:
Cc1ccc(c(c1)OCc2ccc(o2)C(=O)OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H13NO6/c1-9-3-5-11(15(17)18)13(7-9)20-8-10-4-6-12(21-10)14(16)19-2/h3-7H,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,3,11,4,12,7,9,2,10,5,13,6,15,19,16,20,21,17,8,14/E:(17,18)/CRV:15.5/rA:21nCCCCCCCOCCCCCOCOOCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;s10s13;s13;d15;s15;s17;s5;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13NO6
All Atoms:34
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:1.10516
Area:495.155
Solvation:-11.2737
Coulombic:-45.6965
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:291.256
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.5
LogP (Chemaxon):2.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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