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M-Cresol, 6-butyl-

CAT: 0013-GTR19223177-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223177-01Size:100 mg
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Description
6-Butyl-m-cresol is a bioactive small molecule utilized in biochemical research. It serves as a valuable compound for in vitro studies investigating phenolic compound interactions and potential biological activities in various research fields.
CAS Number
5736-70-9
Smiles
OC1=CC (=CC=C1CCCC) C
Molecular Formula
C11H16O
Molecular Weight
164.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

m-Cresol, 6-butyl-
CAS Number5736-70-9
PubChem CID21962
IUPAC Name2-butyl-5-methylphenol
Molecular FormulaC11H16O
Molecular Weight164.24
XLogP3.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity122
SMILES
CCCCC1=C(C=C(C=C1)C)O
InChI
InChI=1S/C11H16O/c1-3-4-5-10-7-6-9(2)8-11(10)12/h6-8,12H,3-5H2,1-2H3
InChIKey
BHIIOLWIZLICII-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of m-Cresol, 6-butyl-
CAS: 5736-70-9
CID: 21962
Formula: C11H16O
MW: 164.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.24
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass164.120115130
Monoisotopic Mass164.120115130
Topological Polar Surface Area20.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity122
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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