Chemical ID: 4119086

Cc1cc(c(cc1C)C(=O)O)C
Chemical ID:
4119086
Name [?]:
2,4,5-trimethylbenzoic acid
SMILES [?]:
Cc1cc(c(cc1C)C(=O)O)C
InChi [?]:
InChI=1/C10H12O2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,8,12,3,6,2,7,4,5,9,10,11/E:(11,12)/rA:12nCCCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s4;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.91545
Area:326.444
Solvation:-1.24565
Coulombic:-28.66
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

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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