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Chemical ID: 6653172
Chemical ID:
6653172
Name [?]:
1-(2,3,5,6-tetramethylphenyl)ethanone
SMILES [?]:
Cc1cc(c(c(c1C)C(=O)C)C)C
InChi [?]:
InChI=1/C12H16O/c1-7-6-8(2)10(4)12(9(7)3)11(5)13/h6H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,13,8,12,11,3,2,4,7,5,9,6,10/E:(1,2)(3,4)(7,8)(9,10)/rA:13nCCCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;s9;s5;s4;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.0992 |
Area: | 350.287 |
Solvation: | -1.65797 |
Coulombic: | -8.19083 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 176.255 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.61 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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