Chemical ID: 4817449

Cc1ccc(c(c1)[N+](=O)[O-])OCc2ccc(o2)C(=O)OC
Chemical ID:
4817449
Name [?]:
methyl 5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-carboxylate
SMILES [?]:
Cc1ccc(c(c1)[N+](=O)[O-])OCc2ccc(o2)C(=O)OC
InChi [?]:
InChI=1/C14H13NO6/c1-9-3-5-12(11(7-9)15(17)18)20-8-10-4-6-13(21-10)14(16)19-2/h3-7H,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,3,14,4,15,7,12,2,13,6,5,16,18,8,19,9,10,20,11,17/E:(17,18)/CRV:15.5/rA:21nCCCCCCCN+OO-OCCCCCOCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;s11;s12;d13;s14;d15;s13s16;s16;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13NO6
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:1.17908
Area:496.87
Solvation:-11.2427
Coulombic:-45.7565
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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