Chemical ID: 6047366

c1cc(cnc1)C=CC=O
Chemical ID:
6047366
Name [?]:
3-(3-pyridyl)prop-2-enal
SMILES [?]:
c1cc(cnc1)C=CC=O
InChi [?]:
InChI=1/C8H7NO/c10-6-2-4-8-3-1-5-9-7-8/h1-7H
InChi Info:
AuxInfo=1/0/N:1,8,2,7,6,9,4,3,5,10/rA:10nCCCCNCCCCO/rB:s1;d2;s3;d4;d1s5;s3;w7;s8;d9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7NO
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.80388
Area:293.321
Solvation:-2.52913
Coulombic:-11.893
Bond Count [?]
All:10
Single:5
Double:5
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:133.147
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.74
LogP (Chemaxon):0.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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