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Chemical ID: 3997335
Chemical ID:
3997335
Name [?]:
1-(4-pentoxyphenyl)ethanone
SMILES [?]:
CCCCCOc1ccc(cc1)C(=O)C
InChi [?]:
InChI=1/C13H18O2/c1-3-4-5-10-15-13-8-6-12(7-9-13)11(2)14/h6-9H,3-5,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,3,4,9,11,8,12,5,13,10,7,14,6/E:(6,7)(8,9)/rA:15nCCCCCOCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.74807 |
Area: | 424.022 |
Solvation: | -2.85248 |
Coulombic: | -16.3718 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 206.281 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.7 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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