Chemical ID: 6689283

CCOc1cccc(c1)C(=O)OCC
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

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Descriptor Annotations

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