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Chemical ID: 6127449
Chemical ID:
6127449
Name [?]:
ethyl 2-(3-formylphenoxy)acetate
SMILES [?]:
CCOC(=O)COc1cccc(c1)C=O
InChi [?]:
InChI=1/C11H12O4/c1-2-14-11(13)8-15-10-5-3-4-9(6-10)7-12/h3-7H,2,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,11,9,13,14,6,12,8,4,15,5,3,7/rA:15nCCOCOCOCCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s12;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12O4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.66866 |
Area: | 408.918 |
Solvation: | -4.55429 |
Coulombic: | -33.5279 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 208.211 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.76 |
LogP (Chemaxon): | 1.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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