Chemical ID: 7383889

COc1ccc(cc1OC)C(=O)C(=O)[O-]
Chemical ID:
7383889
Name [?]:
2-(3,4-dimethoxyphenyl)-2-oxo-acetate
SMILES [?]:
COc1ccc(cc1OC)C(=O)C(=O)[O-]
InChi [?]:
InChI=1/C10H10O5/c1-14-7-4-3-6(5-8(7)15-2)9(11)10(12)13/h3-5H,1-2H3,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,10,5,4,7,6,3,8,11,13,12,14,15,2,9/E:(12,13)/rA:15nCOCCCCCCOCCOCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9O5-
All Atoms:24
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-30.8796
Area:374.997
Solvation:-40.2546
Coulombic:-33.3852
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:209.175
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.33
LogP (Chemaxon):1.11

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue