Chemical ID: 6690138

CCOC(=O)CC(=O)c1ccc(cc1)I
Chemical ID:
6690138
Name [?]:
ethyl 3-(4-iodophenyl)-3-oxo-propanoate
SMILES [?]:
CCOC(=O)CC(=O)c1ccc(cc1)I
InChi [?]:
InChI=1/C11H11IO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,14,11,13,6,9,12,7,4,15,8,5,3/E:(3,4)(5,6)/rA:15nCCOCOCCOCCCCCCI/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11IO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.03233
Area:427.408
Solvation:-3.65286
Coulombic:-24.536
Bond Count [?]
All:15
Single:10
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:318.108
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.45
LogP (Chemaxon):2.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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