Chemical ID: 4663118

CCOC(=O)C1CCCC1=O
Chemical ID:
4663118
Name [?]:
ethyl 2-oxocyclopentane-1-carboxylate
SMILES [?]:
CCOC(=O)C1CCCC1=O
InChi [?]:
InChI=1/C8H12O3/c1-2-11-8(10)6-4-3-5-7(6)9/h6H,2-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,7,9,6,10,4,11,5,3/rA:11cCCOCOCCCCCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;s6s9;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H12O3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:5.09807
Area:322.931
Solvation:-2.9752
Coulombic:-24.0984
Bond Count [?]
All:11
Single:9
Double:2
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:156.179
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.26
LogP (Chemaxon):1.3

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Experimental Annotations

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Descriptor Annotations

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