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Chemical ID: 6690388
Chemical ID:
6690388
Name [?]:
ethyl 2-ethoxy-6-hydroxy-benzoate
SMILES [?]:
CCOc1cccc(c1C(=O)OCC)O
InChi [?]:
InChI=1/C11H14O4/c1-3-14-9-7-5-6-8(12)10(9)11(13)15-4-2/h5-7,12H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,2,13,6,7,5,8,4,9,10,15,11,3,12/rA:15nCCOCCCCCCCOOCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;s8;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14O4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.23654 |
Area: | 400.486 |
Solvation: | -3.7756 |
Coulombic: | -43.0723 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 210.226 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.3 |
LogP (Chemaxon): | 2.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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