Chemical ID: 6684778

CCOC(=O)C1CCC(=O)O1
Chemical ID:
6684778
Name [?]:
ethyl 5-oxotetrahydrofuran-2-carboxylate
SMILES [?]:
CCOC(=O)C1CCC(=O)O1
InChi [?]:
InChI=1/C7H10O4/c1-2-10-7(9)5-3-4-6(8)11-5/h5H,2-4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,8,6,9,4,10,5,3,11/rA:11cCCOCOCCCCOO/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s6s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H10O4
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:4.25226
Area:323.948
Solvation:-3.84644
Coulombic:-35.0793
Bond Count [?]
All:11
Single:9
Double:2
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:158.152
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.45
LogP (Chemaxon):0.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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