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Chemical ID: 6635432
Chemical ID:
6635432
Name [?]:
1,4-dioxaspiro[4.6]undeca-6,10-diene
SMILES [?]:
C1CC=CC2(C=C1)OCCO2
InChi [?]:
InChI=1/C9H12O2/c1-2-4-6-9(5-3-1)10-7-8-11-9/h3-6H,1-2,7-8H2
InChi Info:
AuxInfo=1/0/N:1,2,7,3,6,4,9,10,5,8,11/E:(1,2)(3,4)(5,6)(7,8)(10,11)/rA:11nCCCCCCCOCCO/rB:s1;s2;d3;s4;s5;s1d6;s5;s8;s9;s5s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12O2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.9691 |
Area: | 300.236 |
Solvation: | -2.53679 |
Coulombic: | -19.9584 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 152.19 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.44 |
LogP (Chemaxon): | 2.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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