Chemical ID: 4273926

Cc1c(c(c(cn1)CO)C=O)O
Chemical ID:
4273926
Name [?]:
3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde
SMILES [?]:
Cc1c(c(c(cn1)CO)C=O)O
InChi [?]:
InChI=1/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3
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;s8;s4;d10;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9NO3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:3.18203
Area:320.107
Solvation:-4.82065
Coulombic:-42.0679
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):0.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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