Chemical ID: 5665376

COc1cc(ccc1OCC(=O)O)C(=O)C=Cc2ccc(cc2)C(=O)OC
Chemical ID:
5665376
Name [?]:
2-[2-methoxy-4-[3-(4-methoxycarbonylphenyl)prop-2-enoyl]phenoxy]acetic acid
SMILES [?]:
COc1cc(ccc1OCC(=O)O)C(=O)C=Cc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C20H18O7/c1-25-18-11-15(8-10-17(18)27-12-19(22)23)16(21)9-5-13-3-6-14(7-4-13)20(24)26-2/h3-11H,12H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,27,19,23,17,20,22,6,16,7,4,10,18,21,5,14,8,3,11,24,15,12,13,25,2,26,9/E:(3,4)(6,7)(22,23)/rA:27nCOCCCCCCOCCOOCOCCCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s5;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s21;d24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18O7
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.02304
Area:602.408
Solvation:-8.03716
Coulombic:-68.7888
Bond Count [?]
All:28
Single:18
Double:10
Rotors:9
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:370.353
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.73
LogP (Chemaxon):2.6

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