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Chemical ID: 5576065
Chemical ID:
5576065
Name [?]:
5-methoxy-2-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1C(=O)O)OC
InChi [?]:
InChI=1/C9H10O3/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,12,3,4,6,2,5,7,8,9,10,11/E:(10,11)/rA:12nCCCCCCCCOOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s5;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10O3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.44997 |
Area: | 322.736 |
Solvation: | -2.61843 |
Coulombic: | -35.0674 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 166.174 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.99 |
LogP (Chemaxon): | 1.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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