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Chemical ID: 6405275
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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