Chemical ID: 6691875

COc1ccc(c(c1)OC)OC
Chemical ID:
6691875
Name [?]:
1,2,4-trimethoxybenzene
SMILES [?]:
COc1ccc(c(c1)OC)OC
InChi [?]:
InChI=1/C9H12O3/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,10,4,5,8,3,6,7,2,11,9/rA:12nCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:3.1404
Area:331.392
Solvation:-5.14439
Coulombic:-20.9545
Bond Count [?]
All:12
Single:9
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:168.19
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.5
LogP (Chemaxon):1.29

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