Chemical ID: 3964477

COc1cc(c(c(c1)OC)C=O)OC
Chemical ID:
3964477
Name [?]:
2,4,6-trimethoxybenzaldehyde
SMILES [?]:
COc1cc(c(c(c1)OC)C=O)OC
InChi [?]:
InChI=1/C10H12O4/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-6H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,14,8,4,11,3,6,7,5,12,2,9,13/E:(2,3)(4,5)(9,10)(13,14)/rA:14nCOCCCCCCOCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s5;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:3.04023
Area:357.404
Solvation:-5.89487
Coulombic:-26.5802
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:196.2
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.46
LogP (Chemaxon):0.96

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Descriptor Annotations

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