Chemical ID: 6659713

Cc1cc(c(cc1C)C(=O)C)C
Chemical ID:
6659713
Name [?]:
1-(2,4,5-trimethylphenyl)ethanone
SMILES [?]:
Cc1cc(c(cc1C)C(=O)C)C
InChi [?]:
InChI=1/C11H14O/c1-7-5-9(3)11(10(4)12)6-8(7)2/h5-6H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,12,11,3,6,2,7,4,9,5,10/rA:12nCCCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s4;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.75597
Area:332.282
Solvation:-1.55109
Coulombic:-8.29533
Bond Count [?]
All:12
Single:8
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:162.228
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.17
LogP (Chemaxon):2.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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