Chemical ID: 3964472

COc1cc(c(c(c1C=O)OC)C=O)O
Chemical ID:
3964472
Name [?]:
4-hydroxy-2,6-dimethoxy-benzene-1,3-dicarbaldehyde
SMILES [?]:
COc1cc(c(c(c1C=O)OC)C=O)O
InChi [?]:
InChI=1/C10H10O5/c1-14-9-3-8(13)6(4-11)10(15-2)7(9)5-12/h3-5,13H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,4,13,9,6,8,5,3,7,14,10,15,2,11/rA:15nCOCCCCCCCOOCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s7;s11;s6;d13;s5;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10O5
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:2.1682
Area:365.408
Solvation:-6.96701
Coulombic:-40.9573
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:210.183
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.27
LogP (Chemaxon):1.26

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue