Chemical ID: 4665304

c1c(cc(cc1O)[O-])O
Chemical ID:
4665304
Name [?]:
3,5-dihydroxyphenolate
SMILES [?]:
c1c(cc(cc1O)[O-])O
InChi [?]:
InChI=1/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H/p-1
InChi Info:
AuxInfo=1/1/N:1,3,5,2,6,4,9,7,8/E:(1,2,3)(4,5,6)(7,8,9)/rA:9nCCCCCCOO-O/rB:s1;d2;s3;d4;d1s5;s6;s4;s2;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H5O3-
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:-36.8372
Area:269.799
Solvation:-43.5822
Coulombic:-17.6479
Bond Count [?]
All:9
Single:6
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:125.102
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.8
LogP (Chemaxon):1.19

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Experimental Annotations

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Descriptor Annotations

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