Chemical ID: 6047051

COC(=O)CCCCC=O
Chemical ID:
6047051
Name [?]:
methyl 6-oxohexanoate
SMILES [?]:
COC(=O)CCCCC=O
InChi [?]:
InChI=1/C7H12O3/c1-10-7(9)5-3-2-4-6-8/h6H,2-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,5,9,3,10,4,2/rA:10nCOCOCCCCCO/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H12O3
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.98479
Area:334.452
Solvation:-3.37649
Coulombic:-23.5645
Bond Count [?]
All:9
Single:7
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:144.168
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.74
LogP (Chemaxon):0.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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