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Chemical ID: 6511630
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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