Chemical ID: 4730097

Cc1cc(c(c(c1)C)C(=O)O)C
Chemical ID:
4730097
Name [?]:
2,4,6-trimethylbenzoic acid
SMILES [?]:
Cc1cc(c(c(c1)C)C(=O)O)C
InChi [?]:
InChI=1/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,8,12,7,3,2,6,4,5,9,10,11/E:(2,3)(4,5)(7,8)(11,12)/rA:12nCCCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;s4;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.83629
Area:328.847
Solvation:-1.38489
Coulombic:-28.6272
Bond Count [?]
All:12
Single:8
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:164.201
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.95
LogP (Chemaxon):2.96

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Descriptor Annotations

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