Chemical ID: 4114971

COc1ccc(c(c1)OC)C(=O)OC
Chemical ID:
4114971
Name [?]:
methyl 2,4-dimethoxybenzoate
SMILES [?]:
COc1ccc(c(c1)OC)C(=O)OC
InChi [?]:
InChI=1/C10H12O4/c1-12-7-4-5-8(10(11)14-3)9(6-7)13-2/h4-6H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,14,4,5,8,3,6,7,11,12,2,9,13/rA:14nCOCCCCCCOCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:4.77938
Area:367.1
Solvation:-4.39813
Coulombic:-33.0387
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:196.2
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.79
LogP (Chemaxon):1.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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