Chemical ID: 4260670

CCOC(=O)CCc1cc(c(c(c1)OC)OC)OC
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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