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Chemical ID: 6427140
Chemical ID:
6427140
Name [?]:
2,5-diphenylfuran-3,4-dicarboxylic acid
SMILES [?]:
c1ccc(cc1)c2c(c(c(o2)c3ccccc3)C(=O)O)C(=O)O
InChi [?]:
InChI=1/C18H12O5/c19-17(20)13-14(18(21)22)16(12-9-5-2-6-10-12)23-15(13)11-7-3-1-4-8-11/h1-10H,(H,19,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,15,2,6,14,16,3,5,13,17,4,12,8,9,7,10,21,18,22,23,19,20,11/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)/rA:23nCCCCCCCCCCOCCCCCCCOOCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;d13;s14;d15;d12s16;s9;d18;s18;s8;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12O5 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.22762 |
Area: | 490.754 |
Solvation: | -3.04122 |
Coulombic: | -63.7667 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 308.285 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.68 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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