Chemical ID: 6419981

c1cc(c2c(ccc(c2c1C(=O)O)C(=O)O)C(=O)O)C(=O)O
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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Descriptor Annotations

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