Chemical ID: 5534353

Cc1cccc(c1OC)C(=O)O
Chemical ID:
5534353
Name [?]:
2-methoxy-3-methyl-benzoic acid
SMILES [?]:
Cc1cccc(c1OC)C(=O)O
InChi [?]:
InChI=1/C9H10O3/c1-6-4-3-5-7(9(10)11)8(6)12-2/h3-5H,1-2H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,9,4,3,5,2,6,7,10,11,12,8/E:(10,11)/rA:12nCCCCCCCOCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s6;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.21208
Area:316.953
Solvation:-2.71175
Coulombic:-35.1633
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:1.78
LogP (Chemaxon):1.78

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Descriptor Annotations

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