Chemical ID: 7118598

Cc1cc(c(o1)C)C(=O)[O-]
Chemical ID:
7118598
Name [?]:
2,5-dimethylfuran-3-carboxylate
SMILES [?]:
Cc1cc(c(o1)C)C(=O)[O-]
InChi [?]:
InChI=1/C7H8O3/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3,(H,8,9)/p-1
InChi Info:
AuxInfo=1/1/N:1,7,3,2,5,4,8,9,10,6/E:(8,9)/rA:10nCCCCCOCCOO-/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7O3-
All Atoms:17
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:-34.1213
Area:293.249
Solvation:-41.4525
Coulombic:-8.10025
Bond Count [?]
All:10
Single:7
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:139.129
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.23
LogP (Chemaxon):0.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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