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Chemical ID: 6419981
Chemical ID:
6419981
Name [?]:
naphthalene-1,4,5,8-tetracarboxylic acid
SMILES [?]:
c1cc(c2c(ccc(c2c1C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChi [?]:
InChI=1/C14H8O8/c15-11(16)5-1-2-6(12(17)18)10-8(14(21)22)4-3-7(9(5)10)13(19)20/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,10,3,8,5,9,4,11,20,14,17,12,13,21,22,15,16,18,19/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12,13,14)(15,16,17,18,19,20,21,22)/gE:(1,2,3,4)/rA:22nCCCCCCCCCCCOOCOOCOOCOO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s10;d11;s11;s8;d14;s14;s5;d17;s17;s3;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H8O8 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.92346 |
Area: | 422.752 |
Solvation: | -4.64533 |
Coulombic: | -107.337 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 304.209 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 8 |
XLogP: | 1.75 |
LogP (Chemaxon): | 1.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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