Chemical ID: 4815783

Cc1ccc(c(c1)[N+](=O)[O-])OCc2ccc(o2)C(=O)O
Chemical ID:
4815783
Name [?]:
5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-carboxylic acid
SMILES [?]:
Cc1ccc(c(c1)[N+](=O)[O-])OCc2ccc(o2)C(=O)O
InChi [?]:
InChI=1/C13H11NO6/c1-8-2-4-11(10(6-8)14(17)18)19-7-9-3-5-12(20-9)13(15)16/h2-6H,7H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,14,4,15,7,12,2,13,6,5,16,18,8,19,20,9,10,11,17/E:(15,16)(17,18)/CRV:14.5/rA:20nCCCCCCCN+OO-OCCCCCOCOO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;s11;s12;d13;s14;d15;s13s16;s16;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11NO6
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:0.737336
Area:470.911
Solvation:-11.0354
Coulombic:-53.507
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:277.23
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.18
LogP (Chemaxon):2.22

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Descriptor Annotations

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