Chemical ID: 7969721

c1ccc(cc1)c2ccc(cc2)OC3=COc4cc(ccc4C3=O)OCC(=O)O
Chemical ID:
7969721
Name [?]:
2-[4-oxo-3-(4-phenylphenoxy)-chromen-7-yl]oxyacetic acid
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)OC3=COc4cc(ccc4C3=O)OCC(=O)O
InChi [?]:
InChI=1/C23H16O6/c24-22(25)14-27-18-10-11-19-20(12-18)28-13-21(23(19)26)29-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,12,9,11,20,21,18,15,26,4,7,10,19,22,17,14,27,23,28,29,24,25,16,13/E:(2,3)(4,5)(6,7)(8,9)(24,25)/rA:29nCCCCCCCCCCCCOCCOCCCCCCCOOCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;s16;s17;d18;s19;d20;d17s21;s14s22;d23;s19;s25;s26;d27;s27;/rC:-.0238,1.3508,-.4517;.57,1.1104,.7743;1.7768,.444,.8407;2.3971,.013,-.3305;1.7943,.2579,-1.5628;.5875,.9253,-1.6173;3.6945,-.7034,-.2655;4.2937,-.9522,.9682;5.4997,-1.6183,1.0256;6.1176,-2.0406,-.1442;5.5231,-1.7936,-1.3748;4.3139,-1.1339,-1.4377;7.3058,-2.6962,-.0848;7.0186,-4.0227,.0179;5.7379,-4.4428,.0029;5.3981,-5.7348,.1005;6.3148,-6.716,.2212;5.9286,-8.0456,.3197;6.8912,-9.0331,.4423;8.2452,-8.7043,.4678;8.6414,-7.401,.3719;7.6832,-6.3937,.2477;8.0692,-4.9766,.1361;9.2398,-4.6341,.1483;6.5127,-10.3331,.539;7.7102,-11.1046,.6524;7.3579,-12.5656,.7639;6.2001,-12.9108,.7481;8.3303,-13.4835,.881;

Chemical Details

Atom Count
Formula:C23H16O6
All Atoms:45
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.23053
Area:608.142
Solvation:-5.97302
Coulombic:-59.9142
Bond Count [?]
All:48
Single:36
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:388.37
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.72
LogP (Chemaxon):4.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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