Chemical ID: 6917684

Cc1c(c(c(cn1)C=O)CO)O
Chemical ID:
6917684
Name [?]:
5-hydroxy-4-(hydroxymethyl)-6-methyl-pyridine-3-carbaldehyde
SMILES [?]:
Cc1c(c(c(cn1)C=O)CO)O
InChi [?]:
InChI=1/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2-3,11-12H,4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,8,10,2,5,4,3,7,9,11,12/rA:12nCCCCCCNCOCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s4;s10;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9NO3
All Atoms:21
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.10509
Area:324.169
Solvation:-3.99914
Coulombic:-43.2298
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:167.162
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-0.01
LogP (Chemaxon):-0.24

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