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Chemical ID: 5605530
Chemical ID:
5605530
Name [?]:
isobutyl 4-hydroxybenzoate
SMILES [?]:
CC(C)COC(=O)c1ccc(cc1)O
InChi [?]:
InChI=1/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,9,13,10,12,4,2,8,11,6,14,7,5/E:(1,2)(3,4)(5,6)/rA:14nCCCCOCOCCCCCCO/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.45338 |
Area: | 384.908 |
Solvation: | -2.16932 |
Coulombic: | -37.289 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 194.227 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.63 |
LogP (Chemaxon): | 2.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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