Chemical ID: 5576065

Cc1ccc(cc1C(=O)O)OC
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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