Chemical ID: 4255293

CC(C(=O)O)Oc1c(cc(cc1OC)C=O)[N+](=O)[O-]
Chemical ID:
4255293
Name [?]:
2-(4-formyl-2-methoxy-6-nitro-phenoxy)propanoic acid
SMILES [?]:
CC(C(=O)O)Oc1c(cc(cc1OC)C=O)[N+](=O)[O-]
InChi [?]:
InChI=1/C11H11NO7/c1-6(11(14)15)19-10-8(12(16)17)3-7(5-13)4-9(10)18-2/h3-6H,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,14,9,11,15,2,10,8,12,7,3,17,16,4,5,18,19,13,6/E:(14,15)(16,17)/CRV:12.5/rA:19cCCCOOOCCCCCCOCCON+OO-/rB:s1;s2;d3;s3;s2;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;d15;s8;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO7
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:-2.42146
Area:425.1
Solvation:-13.049
Coulombic:-55.5842
Bond Count [?]
All:19
Single:13
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:269.208
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:0.96
LogP (Chemaxon):1.25

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