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Chemical ID: 4241323
Chemical ID:
4241323
Name [?]:
methyl 4-[2-(4-methoxycarbonylphenoxy)ethoxy]benzoate
SMILES [?]:
COC(=O)c1ccc(cc1)OCCOc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C18H18O6/c1-21-17(19)13-3-7-15(8-4-13)23-11-12-24-16-9-5-14(6-10-16)18(20)22-2/h3-10H,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,6,10,17,19,7,9,16,20,12,13,5,18,8,15,3,21,4,22,2,23,11,14/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:24nCOCOCCCCCCOCCOCCCCCCCOOC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18O6 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.58337 |
Area: | 570.857 |
Solvation: | -5.68806 |
Coulombic: | -54.4478 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 330.332 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.27 |
LogP (Chemaxon): | 2.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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