Chemical ID: 7004774

COc1ccc(c(c1)CC(=O)[O-])OC
Chemical ID:
7004774
Name [?]:
2-(2,5-dimethoxyphenyl)acetate
SMILES [?]:
COc1ccc(c(c1)CC(=O)[O-])OC
InChi [?]:
InChI=1/C10H12O4/c1-13-8-3-4-9(14-2)7(5-8)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,14,4,5,8,9,7,3,6,10,11,12,2,13/E:(11,12)/rA:14nCOCCCCCCCCOO-OC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s6;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11O4-
All Atoms:25
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-39.5393
Area:361.835
Solvation:-48.5851
Coulombic:-9.67685
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:195.192
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.8
LogP (Chemaxon):1.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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