Chemical ID: 6920237

COc1cc(c(cc1OC)OC)C(=O)OC
Chemical ID:
6920237
Name [?]:
methyl 2,4,5-trimethoxybenzoate
SMILES [?]:
COc1cc(c(cc1OC)OC)C(=O)OC
InChi [?]:
InChI=1/C11H14O5/c1-13-8-6-10(15-3)9(14-2)5-7(8)11(12)16-4/h5-6H,1-4H3
InChi Info:
AuxInfo=1/0/N:12,1,10,16,4,7,5,6,3,8,13,14,11,2,9,15/rA:16nCOCCCCCCOCOCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s5;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14O5
All Atoms:30
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:3.47369
Area:398.892
Solvation:-6.49862
Coulombic:-38.522
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:226.226
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.44
LogP (Chemaxon):0.84

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Descriptor Annotations

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