Chemical ID: 6427140

c1ccc(cc1)c2c(c(c(o2)c3ccccc3)C(=O)O)C(=O)O
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

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