Chemical ID: 5605530

CC(C)COC(=O)c1ccc(cc1)O
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

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Descriptor Annotations

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