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Chemical ID: 7233382
Chemical ID:
7233382
Name [?]:
methyl 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonyl-phenoxy)-4-methyl-benzoate
SMILES [?]:
Cc1cc(c(c(c1)Oc2c(cc(cc2OC)O)C(=O)OC)C(=O)OC)O
InChi [?]:
InChI=1/C18H18O8/c1-9-5-12(20)15(18(22)25-4)13(6-9)26-16-11(17(21)24-3)7-10(19)8-14(16)23-2/h5-8,19-20H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,21,25,3,7,11,13,2,12,10,4,6,14,5,9,18,22,17,26,19,23,15,20,24,8/rA:26nCCCCCCCOCCCCCCOCOCOOCCOOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s14;s15;s12;s10;d18;s18;s20;s5;d22;s22;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18O8 |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.27398 |
Area: | 552.71 |
Solvation: | -7.54376 |
Coulombic: | -82.7082 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.21 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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