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Chemical ID: 7383889
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
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Experimental Annotations
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Descriptor Annotations
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