Chemical ID: 6670983

CCOC(=O)CCCC(=O)c1ccccc1
Chemical ID:
6670983
Name [?]:
ethyl 5-oxo-5-phenyl-pentanoate
SMILES [?]:
CCOC(=O)CCCC(=O)c1ccccc1
InChi [?]:
InChI=1/C13H16O3/c1-2-16-13(15)10-6-9-12(14)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,13,15,7,12,16,8,6,11,9,4,10,5,3/E:(4,5)(7,8)/rA:16nCCOCOCCCCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.75126
Area:438.0
Solvation:-3.19875
Coulombic:-26.5139
Bond Count [?]
All:16
Single:11
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:220.264
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.33
LogP (Chemaxon):1.92

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Descriptor Annotations

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