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Chemical ID: 5248918
Chemical ID:
5248918
Name [?]:
1-ethoxy-3-phenyl-benzene
SMILES [?]:
CCOc1cccc(c1)c2ccccc2
InChi [?]:
InChI=1/C14H14O/c1-2-15-14-10-6-9-13(11-14)12-7-4-3-5-8-12/h3-11H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,6,11,15,7,5,9,10,8,4,3/E:(4,5)(7,8)/rA:15nCCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.66165 |
Area: | 388.456 |
Solvation: | -2.04976 |
Coulombic: | -10.4233 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 198.26 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.3 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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