Chemical ID: 5788487

COc1cc(c(c(c1)OC)C=O)C(=O)OC
Chemical ID:
5788487
Name [?]:
methyl 2-formyl-3,5-dimethoxy-benzoate
SMILES [?]:
COc1cc(c(c(c1)OC)C=O)C(=O)OC
InChi [?]:
InChI=1/C11H12O5/c1-14-7-4-8(11(13)16-3)9(6-12)10(5-7)15-2/h4-6H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,16,4,8,11,3,5,6,7,13,12,14,2,9,15/rA:16nCOCCCCCCOCCOCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s5;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12O5
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:4.09812
Area:391.347
Solvation:-5.68555
Coulombic:-38.1513
Bond Count [?]
All:16
Single:11
Double:5
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:224.21
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.48
LogP (Chemaxon):0.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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