Chemical ID: 4736787

c1c(c(cc(c1C(=O)O)O)C(=O)O)C(=O)O
Chemical ID:
4736787
Name [?]:
5-hydroxybenzene-1,2,4-tricarboxylic acid
SMILES [?]:
c1c(c(cc(c1C(=O)O)O)C(=O)O)C(=O)O
InChi [?]:
InChI=1/C9H6O7/c10-6-2-4(8(13)14)3(7(11)12)1-5(6)9(15)16/h1-2,10H,(H,11,12)(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,4,2,3,6,5,14,11,7,10,15,16,12,13,8,9/E:(11,12)(13,14)(15,16)/rA:16nCCCCCCCOOOCOOCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s5;s3;d11;s11;s2;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6O7
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:4.34253
Area:373.395
Solvation:-4.99235
Coulombic:-94.1128
Bond Count [?]
All:16
Single:10
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:226.14
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:1.66
LogP (Chemaxon):0.96

Name Annotations

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Descriptor Annotations

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