Chemical ID: 6683073

CCCCC=CC=O
Chemical ID:
6683073
Name [?]:
hept-2-enal
SMILES [?]:
CCCCC=CC=O
InChi [?]:
InChI=1/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,7,8/rA:8nCCCCCCCO/rB:s1;s2;s3;s4;w5;s6;d7;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C7H12O
All Atoms:8
Heavy Atoms:8
Chiral Atoms:0
ZAP Information [?]
Total:5.78196
Area:297.604
Solvation:-1.65813
Coulombic:-8.65375
Bond Count [?]
All:7
Single:5
Double:2
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:112.17
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.42
LogP (Chemaxon):1.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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