Chemical ID: 5581273

COc1cc(cc(c1)OC)OC
Chemical ID:
5581273
Name [?]:
1,3,5-trimethoxybenzene
SMILES [?]:
COc1cc(cc(c1)OC)OC
InChi [?]:
InChI=1/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,12,8,4,6,3,7,5,2,9,11/E:(1,2,3)(4,5,6)(7,8,9)(10,11,12)/rA:12nCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.4967
Area:332.327
Solvation:-3.81147
Coulombic:-21.5181
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:1.77
LogP (Chemaxon):1.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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