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Chemical ID: 4729360
Chemical ID:
4729360
Name [?]:
1-(2,3,4,5,6-pentamethylphenyl)ethanone
SMILES [?]:
Cc1c(c(c(c(c1C)C)C(=O)C)C)C
InChi [?]:
InChI=1/C13H18O/c1-7-8(2)10(4)13(12(6)14)11(5)9(7)3/h1-6H3
InChi Info:
AuxInfo=1/0/N:1,8,14,9,13,12,2,7,3,6,4,10,5,11/E:(2,3)(4,5)(8,9)(10,11)/rA:14nCCCCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;d10;s10;s4;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.43067 |
Area: | 364.408 |
Solvation: | -1.67953 |
Coulombic: | -7.94805 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 190.281 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.05 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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