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Chemical ID: 4260670
Chemical ID:
4260670
Name [?]:
ethyl 3-(3,4,5-trimethoxyphenyl)propanoate
SMILES [?]:
CCOC(=O)CCc1cc(c(c(c1)OC)OC)OC
InChi [?]:
InChI=1/C14H20O5/c1-5-19-13(15)7-6-10-8-11(16-2)14(18-4)12(9-10)17-3/h8-9H,5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,15,19,17,2,7,6,13,9,8,12,10,4,11,5,14,18,16,3/E:(2,3)(8,9)(11,12)(16,17)/rA:19nCCOCOCCCCCCCCOCOCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;s10;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20O5 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.65925 |
Area: | 486.27 |
Solvation: | -6.49751 |
Coulombic: | -39.344 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 268.306 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.71 |
LogP (Chemaxon): | 1.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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