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Chemical ID: 5257387
Chemical ID:
5257387
Name [?]:
(3-carboxy-1-hydroxy-prop-2-enylidene)oxonium
SMILES [?]:
C(=CC(=O)O)C(=[OH+])O
InChi [?]:
InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(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:8nCCCOOCO+O/rB:w1;s2;d3;s3;s1;w6;s6;/rC:;;;;;;;;
Chemical Details
Atom Count
Formula: | C4H5O4+ |
All Atoms: | 8 |
Heavy Atoms: | 8 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -38.1303 |
Area: | 248.96 |
Solvation: | -44.3543 |
Coulombic: | -30.1996 |
Bond Count [?]
All: | 7 |
Single: | 4 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 117.08 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | -0.48 |
LogP (Chemaxon): | 0.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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