Chemical ID: 6681376

C1CCC(=O)C=CC1
Chemical ID:
6681376
Name [?]:
cyclohept-2-en-1-one
SMILES [?]:
C1CCC(=O)C=CC1
InChi [?]:
InChI=1/C7H10O/c8-7-5-3-1-2-4-6-7/h3,5H,1-2,4,6H2
InChi Info:
AuxInfo=1/0/N:8,1,7,2,6,3,4,5/rA:8nCCCCOCCC/rB:s1;s2;s3;d4;s4;d6;s1s7;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C7H10O
All Atoms:8
Heavy Atoms:8
Chiral Atoms:0
ZAP Information [?]
Total:4.83413
Area:253.959
Solvation:-1.51485
Coulombic:-8.44405
Bond Count [?]
All:8
Single:6
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:110.154
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.34
LogP (Chemaxon):2.0

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Experimental Annotations

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Descriptor Annotations

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