Chemical ID: 4945076

c1cc(ccc1C(=[OH+])O)[OH2+]
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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