Chemical ID: 4259623

C(CC(=O)[O-])C(=O)O
Chemical ID:
4259623
Name [?]:
4-hydroxy-4-oxo-butanoate
SMILES [?]:
C(CC(=O)[O-])C(=O)O
InChi [?]:
InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,8,4,5/E:(1,2)(3,4)(5,6,7,8)/gE:(1,2)/rA:8nCCCOO-COO/rB:s1;s2;d3;s3;s1;d6;s6;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C4H5O4-
All Atoms:8
Heavy Atoms:8
Chiral Atoms:0
ZAP Information [?]
Total:-36.4585
Area:267.786
Solvation:-43.1532
Coulombic:-24.4345
Bond Count [?]
All:7
Single:5
Double:2
Rotors:3
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:117.08
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:-1.19
LogP (Chemaxon):-0.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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