Chemical ID: 6129531

CCC(=O)c1cc2c(cc1Cl)OCCO2
Chemical ID:
6129531
Name [?]:
1-(8-chloro-2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-9-yl)propan-1-one
SMILES [?]:
CCC(=O)c1cc2c(cc1Cl)OCCO2
InChi [?]:
InChI=1/C11H11ClO3/c1-2-9(13)7-5-10-11(6-8(7)12)15-4-3-14-10/h5-6H,2-4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,13,6,9,5,10,3,7,8,11,4,15,12/rA:15nCCCOCCCCCCClOCCO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s8;s12;s13;s7s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11ClO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.96949
Area:378.759
Solvation:-3.49949
Coulombic:-23.0926
Bond Count [?]
All:16
Single:12
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:226.656
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.36
LogP (Chemaxon):1.82

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Descriptor Annotations

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