Chemical ID: 6511630

Cc1ccc2c(c1)OCCCC2=O
Chemical ID:
6511630
Name [?]:
9-methyl-6-oxabicyclo[5.4.0]undeca-8,10,12-trien-2-one
SMILES [?]:
Cc1ccc2c(c1)OCCCC2=O
InChi [?]:
InChI=1/C11H12O2/c1-8-4-5-9-10(12)3-2-6-13-11(9)7-8/h4-5,7H,2-3,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,11,3,4,9,7,2,5,12,6,13,8/rA:13nCCCCCCCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s5s11;d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.39022
Area:330.273
Solvation:-2.8666
Coulombic:-15.4312
Bond Count [?]
All:14
Single:10
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:176.212
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.19
LogP (Chemaxon):1.71

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