Chemical ID: 3964476

COc1cc(c(c(c1)OC)C=O)O
Chemical ID:
3964476
Name [?]:
2-hydroxy-4,6-dimethoxy-benzaldehyde
SMILES [?]:
COc1cc(c(c(c1)OC)C=O)O
InChi [?]:
InChI=1/C9H10O4/c1-12-6-3-8(11)7(5-10)9(4-6)13-2/h3-5,11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,4,8,11,3,6,5,7,12,13,2,9/rA:13nCOCCCCCCOCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s5;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10O4
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:3.69325
Area:339.491
Solvation:-4.79401
Coulombic:-36.1769
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:182.173
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.57
LogP (Chemaxon):1.58

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