Chemical ID: 6683306

CC=CC=O
Chemical ID:
6683306
Name [?]:
but-2-enal
SMILES [?]:
CC=CC=O
InChi [?]:
InChI=1/C4H6O/c1-2-3-4-5/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5/rA:5nCCCCO/rB:s1;w2;s3;d4;/rC:;;;;;

Chemical Details

Atom Count
Formula:C4H6O
All Atoms:5
Heavy Atoms:5
Chiral Atoms:0
ZAP Information [?]
Total:3.77869
Area:217.854
Solvation:-1.66765
Coulombic:-7.74938
Bond Count [?]
All:4
Single:2
Double:2
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:70.0898
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.82
LogP (Chemaxon):0.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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