Chemical ID: 5565878

Cc1c(cc(cc1OC)C(=O)OC)OC
Chemical ID:
5565878
Name [?]:
methyl 3,5-dimethoxy-4-methyl-benzoate
SMILES [?]:
Cc1c(cc(cc1OC)C(=O)OC)OC
InChi [?]:
InChI=1/C11H14O4/c1-7-9(13-2)5-8(11(12)15-4)6-10(7)14-3/h5-6H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,9,15,13,6,4,2,5,7,3,10,11,8,14,12/E:(2,3)(5,6)(9,10)(13,14)/rA:15nCCCCCCCOCCOOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s5;d10;s10;s12;s3;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14O4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.87047
Area:386.395
Solvation:-3.7894
Coulombic:-33.4662
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:210.226
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.01
LogP (Chemaxon):1.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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