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Chemical ID: 5139241
Chemical ID:
5139241
Name [?]:
3-aminobenzene-1,2,4-tricarboxylic acid
SMILES [?]:
c1cc(c(c(c1C(=O)O)C(=O)O)N)C(=O)O
InChi [?]:
InChI=1/C9H7NO6/c10-6-4(8(13)14)2-1-3(7(11)12)5(6)9(15)16/h1-2H,10H2,(H,11,12)(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,14,10,13,8,9,15,16,11,12/E:(11,12)(13,14)(15,16)/rA:16nCCCCCCCOOCOONCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s5;d10;s10;s4;s3;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H7NO6 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.60092 |
Area: | 371.28 |
Solvation: | -3.68108 |
Coulombic: | -96.6923 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 225.155 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 7 |
XLogP: | 1.12 |
LogP (Chemaxon): | 1.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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