Chemical ID: 6689216

CCOc1ccc(cc1OCC)C(=O)OCC
Chemical ID:
6689216
Name [?]:
ethyl 3,4-diethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1OCC)C(=O)OCC
InChi [?]:
InChI=1/C13H18O4/c1-4-15-11-8-7-10(13(14)17-6-3)9-12(11)16-5-2/h7-9H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,17,2,11,16,6,5,8,7,4,9,13,14,3,10,15/rA:17nCCOCCCCCCOCCCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;d13;s13;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18O4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.82085
Area:452.317
Solvation:-4.48707
Coulombic:-34.2279
Bond Count [?]
All:17
Single:13
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:238.28
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.79
LogP (Chemaxon):2.12

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