Chemical ID: 6917288

c1c(nc[nH]1)CC=O
Chemical ID:
6917288
Name [?]:
2-(1H-imidazol-4-yl)acetaldehyde
SMILES [?]:
c1c(nc[nH]1)CC=O
InChi [?]:
InChI=1/C5H6N2O/c8-2-1-5-3-6-4-7-5/h2-4H,1H2,(H,6,7)
InChi Info:
AuxInfo=1/1/N:6,7,1,4,2,5,3,8/rA:8nCCNCNCCO/rB:d1;s2;d3;s1s4;s2;s6;d7;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C5H6N2O
All Atoms:14
Heavy Atoms:8
Chiral Atoms:0
ZAP Information [?]
Total:3.47922
Area:261.221
Solvation:-3.05131
Coulombic:-20.0123
Bond Count [?]
All:8
Single:5
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:110.114
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.13
LogP (Chemaxon):-0.63

Name Annotations

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Descriptor Annotations

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