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Chemical ID: 5665376
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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