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Chemical ID: 7004774
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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