Chemical ID: 6405275

CC(C)c1cccc(c1OC)C(=O)O
Chemical ID:
6405275
Name [?]:
3-isopropyl-2-methoxy-benzoic acid
SMILES [?]:
CC(C)c1cccc(c1OC)C(=O)O
InChi [?]:
InChI=1/C11H14O3/c1-7(2)8-5-4-6-9(11(12)13)10(8)14-3/h4-7H,1-3H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,11,6,5,7,2,4,8,9,12,13,14,10/E:(1,2)(12,13)/rA:14nCCCCCCCCCOCCOO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s8;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.27874
Area:358.094
Solvation:-2.67361
Coulombic:-35.8858
Bond Count [?]
All:14
Single:10
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:194.227
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.75
LogP (Chemaxon):2.5

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