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Chemical ID: 4938757
Chemical ID:
4938757
Name [?]:
(2-hydroxy-3-oxoniocarbonyl-propanoyl)oxonium
SMILES [?]:
C(C(C(=O)[OH2+])O)C(=O)[OH2+]
InChi [?]:
InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p+2
InChi Info:
AuxInfo=1/1/N:1,2,7,3,6,8,9,4,5/E:(6,7)(8,9)/rA:9cCCCOO+OCOO+/rB:s1;s2;d3;s3;s2;s1;d7;s7;/rC:;;;;;;;;;
Chemical Details
Atom Count
Formula: | C4H8O5+2 |
All Atoms: | 9 |
Heavy Atoms: | 9 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -116.257 |
Area: | 279.564 |
Solvation: | -123.246 |
Coulombic: | -41.4881 |
Bond Count [?]
All: | 8 |
Single: | 6 |
Double: | 2 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 136.103 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | -1.47 |
LogP (Chemaxon): | -0.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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