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Chemical ID: 5753831
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
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Experimental Annotations
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Descriptor Annotations
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