Chemical ID: 6517632

COc1ccc(c(c1OC)OC)C=O
Chemical ID:
6517632
Name [?]:
2,3,4-trimethoxybenzaldehyde
SMILES [?]:
COc1ccc(c(c1OC)OC)C=O
InChi [?]:
InChI=1/C10H12O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-6H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,10,5,4,13,6,3,7,8,14,2,11,9/rA:14nCOCCCCCCOCOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s6;d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:3.95628
Area:360.316
Solvation:-5.05162
Coulombic:-29.7746
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:1.06
LogP (Chemaxon):0.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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