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Chemical ID: 6689283
Chemical ID:
6689283
Name [?]:
ethyl 3-ethoxybenzoate
SMILES [?]:
CCOc1cccc(c1)C(=O)OCC
InChi [?]:
InChI=1/C11H14O3/c1-3-13-10-7-5-6-9(8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,2,13,6,7,5,9,8,4,10,11,3,12/rA:14nCCOCCCCCCCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.19614 |
Area: | 389.841 |
Solvation: | -2.5499 |
Coulombic: | -27.9289 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 194.227 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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