Chemical ID: 5251687

CCOC(=O)CCc1ccc(cc1)OC
Chemical ID:
5251687
Name [?]:
ethyl 3-(4-methoxyphenyl)propanoate
SMILES [?]:
CCOC(=O)CCc1ccc(cc1)OC
InChi [?]:
InChI=1/C12H16O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-5,7-8H,3,6,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,9,13,7,10,12,6,8,11,4,5,14,3/E:(4,5)(7,8)/rA:15nCCOCOCCCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.24651
Area:415.443
Solvation:-3.13957
Coulombic:-25.9854
Bond Count [?]
All:15
Single:11
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:208.254
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.28
LogP (Chemaxon):2.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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