Chemical ID: 6683900

COC(=O)C1CCCCC1=O
Chemical ID:
6683900
Name [?]:
methyl 2-oxocyclohexane-1-carboxylate
SMILES [?]:
COC(=O)C1CCCCC1=O
InChi [?]:
InChI=1/C8H12O3/c1-11-8(10)6-4-2-3-5-7(6)9/h6H,2-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,6,9,5,10,3,11,4,2/rA:11cCOCOCCCCCCO/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5s9;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H12O3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:4.58876
Area:310.233
Solvation:-3.16706
Coulombic:-24.0391
Bond Count [?]
All:11
Single:9
Double:2
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:156.179
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.4
LogP (Chemaxon):1.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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