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Chemical ID: 4736787
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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Experimental Annotations
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Descriptor Annotations
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