Chemical ID: 6682071

CCCC(=O)[O-]
Chemical ID:
6682071
Name [?]:
butanoate
SMILES [?]:
CCCC(=O)[O-]
InChi [?]:
InChI=1/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6/E:(5,6)/rA:6nCCCCOO-/rB:s1;s2;s3;d4;s4;/rC:;;;;;;

Chemical Details

Atom Count
Formula:C4H7O2-
All Atoms:6
Heavy Atoms:6
Chiral Atoms:0
ZAP Information [?]
Total:-37.7821
Area:236.038
Solvation:-43.683
Coulombic:2.19779
Bond Count [?]
All:5
Single:4
Double:1
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:87.0972
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.26
LogP (Chemaxon):0.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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