Chemical ID: 6680838

COc1cc(c(cc1OC)OC)C(=O)O
Chemical ID:
6680838
Name [?]:
2,4,5-trimethoxybenzoic acid
SMILES [?]:
COc1cc(c(cc1OC)OC)C(=O)O
InChi [?]:
InChI=1/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:12,1,10,4,7,5,6,3,8,13,14,15,11,2,9/E:(11,12)/rA:15nCOCCCCCCOCOCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s5;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12O5
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:2.80891
Area:370.987
Solvation:-6.46576
Coulombic:-46.1496
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:212.199
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.11
LogP (Chemaxon):0.8

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Descriptor Annotations

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