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Chemical ID: 6667437
Chemical ID:
6667437
Name [?]:
methyl 2-(3,5-dimethoxyphenyl)acetate
SMILES [?]:
COc1cc(cc(c1)OC)CC(=O)OC
InChi [?]:
InChI=1/C11H14O4/c1-13-9-4-8(6-11(12)15-3)5-10(7-9)14-2/h4-5,7H,6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,15,4,6,11,8,5,3,7,12,13,2,9,14/E:(1,2)(4,5)(9,10)(13,14)/rA:15nCOCCCCCCOCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;s11;d12;s12;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14O4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.10134 |
Area: | 392.245 |
Solvation: | -4.70478 |
Coulombic: | -31.4698 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 210.226 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.6 |
LogP (Chemaxon): | 1.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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