Chemical ID: 5753831

c1cc(oc1)C=C2CCC(=O)O2
Chemical ID:
5753831
Name [?]:
5-(2-furylmethylene)tetrahydrofuran-2-one
SMILES [?]:
c1cc(oc1)C=C2CCC(=O)O2
InChi [?]:
InChI=1/C9H8O3/c10-9-4-3-8(12-9)6-7-2-1-5-11-7/h1-2,5-6H,3-4H2
InChi Info:
AuxInfo=1/0/N:1,2,8,9,5,6,3,7,10,11,4,12/rA:12nCCCOCCCCCCOO/rB:s1;d2;s3;d1s4;s3;w6;s7;s8;s9;d10;s7s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.1329
Area:323.681
Solvation:-2.95913
Coulombic:-22.9636
Bond Count [?]
All:13
Single:9
Double:4
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:164.158
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.78
LogP (Chemaxon):0.34

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue