Chemical ID: 7127973

Cc1cc(cc(c1)CC(=O)O)C
Chemical ID:
7127973
Name [?]:
2-(3,5-dimethylphenyl)acetic acid
SMILES [?]:
Cc1cc(cc(c1)CC(=O)O)C
InChi [?]:
InChI=1/C10H12O2/c1-7-3-8(2)5-9(4-7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,12,3,7,5,8,2,4,6,9,10,11/E:(1,2)(4,5)(7,8)(11,12)/rA:12nCCCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s4;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12O2
All Atoms:24
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.45152
Area:338.333
Solvation:-2.00681
Coulombic:-26.5928
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:164.201
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.32
LogP (Chemaxon):2.61

Name Annotations

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Descriptor Annotations

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