Chemical ID: 4264262

c1ccc(cc1)C(=O)c2ccc(cc2)Oc3ccc(c(c3)C(=O)O)C(=O)O
Chemical ID:
4264262
Name [?]:
4-(4-benzoylphenoxy)benzene-1,2-dicarboxylic acid
SMILES [?]:
c1ccc(cc1)C(=O)c2ccc(cc2)Oc3ccc(c(c3)C(=O)O)C(=O)O
InChi [?]:
InChI=1/C21H14O6/c22-19(13-4-2-1-3-5-13)14-6-8-15(9-7-14)27-16-10-11-17(20(23)24)18(12-16)21(25)26/h1-12H,(H,23,24)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,10,14,11,13,17,18,21,4,9,12,16,19,20,7,25,22,8,26,27,23,24,15/E:(2,3)(4,5)(6,7)(8,9)(23,24)(25,26)/rA:27nCCCCCCCOCCCCCCOCCCCCCCOOCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s18;d19;d16s20;s20;d22;s22;s19;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14O6
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.25271
Area:562.627
Solvation:-4.81295
Coulombic:-71.5322
Bond Count [?]
All:29
Single:17
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:362.332
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.29
LogP (Chemaxon):3.73

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Descriptor Annotations

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