Chemical ID: 6507096

c1cc(c(cc1C(=O)[O-])O)O
Chemical ID:
6507096
Name [?]:
3,4-dihydroxybenzoate
SMILES [?]:
c1cc(c(cc1C(=O)[O-])O)O
InChi [?]:
InChI=1/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,7,11,10,8,9/E:(10,11)/rA:11nCCCCCCCOO-OO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s3;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5O4-
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-35.1922
Area:302.282
Solvation:-42.7493
Coulombic:-34.2932
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:153.112
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.77
LogP (Chemaxon):0.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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