Chemical ID: 6667437

COc1cc(cc(c1)OC)CC(=O)OC
Chemical ID:
6667437
Name [?]:
methyl 2-(3,5-dimethoxyphenyl)acetate
SMILES [?]:
COc1cc(cc(c1)OC)CC(=O)OC
InChi [?]:
InChI=1/C11H14O4/c1-13-9-4-8(6-11(12)15-3)5-10(7-9)14-2/h4-5,7H,6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,15,4,6,11,8,5,3,7,12,13,2,9,14/E:(1,2)(4,5)(9,10)(13,14)/rA:15nCOCCCCCCOCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;s11;d12;s12;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14O4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.10134
Area:392.245
Solvation:-4.70478
Coulombic:-31.4698
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:210.226
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.6
LogP (Chemaxon):1.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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