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Chemical ID: 4669359
Chemical ID:
4669359
Name [?]:
1-cyclohexenyloxymethylbenzene
SMILES [?]:
c1ccc(cc1)COC2=CCCCC2
InChi [?]:
InChI=1/C13H16O/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1,3-4,7-9H,2,5-6,10-11H2
InChi Info:
AuxInfo=1/0/N:1,12,2,6,11,13,3,5,10,14,7,4,9,8/E:(3,4)(7,8)/rA:14nCCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.35955 |
Area: | 375.073 |
Solvation: | -2.01726 |
Coulombic: | -9.69638 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 188.266 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.46 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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