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Chemical ID: 6658367
Chemical ID:
6658367
Name [?]:
(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate
SMILES [?]:
CC1CC(CC(C1)(C)C)OC(=O)c2ccccc2O
InChi [?]:
InChI=1/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,9,15,16,14,17,3,7,5,2,4,13,18,11,6,19,12,10/E:(2,3)/rA:19cCCCCCCCCCOCOCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s6;s6;s4;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.21989 |
Area: | 460.331 |
Solvation: | -2.28838 |
Coulombic: | -38.3244 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 262.344 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.98 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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