Chemical ID: 4097448

Cc1cc(c(c(c1)OC)O)[N+](=O)[O-]
Chemical ID:
4097448
Name [?]:
2-methoxy-4-methyl-6-nitro-phenol
SMILES [?]:
Cc1cc(c(c(c1)OC)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C8H9NO4/c1-5-3-6(9(11)12)8(10)7(4-5)13-2/h3-4,10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,3,7,2,4,6,5,11,10,12,13,8/E:(11,12)/CRV:9.5/rA:13nCCCCCCCOCON+OO-/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5;s4;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9NO4
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-1.08902
Area:335.38
Solvation:-9.47353
Coulombic:-33.5209
Bond Count [?]
All:13
Single:9
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:183.161
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.38
LogP (Chemaxon):1.93

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue