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Benzeneethanol, 3- (1-methylethyl) -

CAT: 0931-T30357-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T30357-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
68480-22-8
Target
Others
Related Pathways
Others
Bioactivity
Benzeneethanol, 3- (1-methylethyl) - is a bioactive chemical.
Smiles
OCCC1=CC=CC(=C1)C(C)C
Molecular Formula
C11H16O
Molecular Weight
164.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

m-Isopropylphenethyl alcohol
CAS Number68480-22-8
PubChem CID110369
IUPAC Name2-(3-propan-2-ylphenyl)ethanol
Molecular FormulaC11H16O
Molecular Weight164.24
XLogP2.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity120
SMILES
CC(C)C1=CC=CC(=C1)CCO
InChI
InChI=1S/C11H16O/c1-9(2)11-5-3-4-10(8-11)6-7-12/h3-5,8-9,12H,6-7H2,1-2H3
InChIKey
ZNRBQJLZGSDXDM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of m-Isopropylphenethyl alcohol
CAS: 68480-22-8
CID: 110369
Formula: C11H16O
MW: 164.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.24
XLogP32.6
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
Complexity120
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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