Chemical ID: 6127449

CCOC(=O)COc1cccc(c1)C=O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue