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Chemical ID: 6427540
Chemical ID:
6427540
Name [?]:
2-(2,6-dimethylphenyl)aminoacetic acid
SMILES [?]:
Cc1cccc(c1NCC(=O)O)C
InChi [?]:
InChI=1/C10H13NO2/c1-7-4-3-5-8(2)10(7)11-6-9(12)13/h3-5,11H,6H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,13,4,3,5,9,2,6,10,7,8,11,12/E:(1,2)(4,5)(7,8)(12,13)/rA:13nCCCCCCCNCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s6;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.52769 |
Area: | 353.742 |
Solvation: | -2.31587 |
Coulombic: | -38.3843 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 179.216 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.5 |
LogP (Chemaxon): | 1.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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