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Chemical ID: 4945076
Chemical ID:
4945076
Name [?]:
[hydroxy-(4-oxoniophenyl)-methylene]oxonium
SMILES [?]:
c1cc(ccc1C(=[OH+])O)[OH2+]
InChi [?]:
InChI=1/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/p+2
InChi Info:
AuxInfo=1/1/N:1,5,2,4,6,3,7,10,8,9/E:(1,2)(3,4)(9,10)/rA:10nCCCCCCCO+OO+/rB:s1;d2;s3;d4;d1s5;s6;w7;s7;s3;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H8O3+2 |
All Atoms: | 10 |
Heavy Atoms: | 10 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -104.156 |
Area: | 287.077 |
Solvation: | -111.333 |
Coulombic: | 0.752393 |
Bond Count [?]
All: | 10 |
Single: | 6 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 140.137 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.16 |
LogP (Chemaxon): | 1.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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