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Chemical ID: 5255079
Chemical ID:
5255079
Name [?]:
1-ethyl-4-propoxy-benzene
SMILES [?]:
CCCOc1ccc(cc1)CC
InChi [?]:
InChI=1/C11H16O/c1-3-9-12-11-7-5-10(4-2)6-8-11/h5-8H,3-4,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,11,7,9,6,10,3,8,5,4/E:(5,6)(7,8)/rA:12nCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.25058 |
Area: | 357.707 |
Solvation: | -1.69208 |
Coulombic: | -9.56806 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 164.244 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.62 |
LogP (Chemaxon): | 3.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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