Chemical ID: 4734578

CC1C(=O)C=C(O1)C
Chemical ID:
4734578
Name [?]:
2,5-dimethylfuran-3-one
SMILES [?]:
CC1C(=O)C=C(O1)C
InChi [?]:
InChI=1/C6H8O2/c1-4-3-6(7)5(2)8-4/h3,5H,1-2H3
InChi Info:
AuxInfo=1/0/N:8,1,5,6,2,3,4,7/rA:8cCCCOCCOC/rB:s1;s2;d3;s3;d5;s2s6;s6;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C6H8O2
All Atoms:8
Heavy Atoms:8
Chiral Atoms:1
ZAP Information [?]
Total:4.4488
Area:261.251
Solvation:-2.08247
Coulombic:-15.3366
Bond Count [?]
All:8
Single:6
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:112.127
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.64
LogP (Chemaxon):0.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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