Chemical ID: 6690388

CCOc1cccc(c1C(=O)OCC)O
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

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