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Chemical ID: 7127973
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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Experimental Annotations
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Descriptor Annotations
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