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2-phenylbutan-2-ol

CAT: 0127-OR1095516-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1095516-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1565-75-9
MDL Number
MFCD00004475
Purity
97%
Smiles
C1cccc (c1) C (C) (CC) O

Chemical Information

2-Phenylbutan-2-ol
CAS Number1565-75-9
PubChem CID15283
IUPAC Name2-phenylbutan-2-ol
Molecular FormulaC10H14O
Molecular Weight150.22
XLogP2.2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity116
SMILES
CCC(C)(C1=CC=CC=C1)O
InChI
InChI=1S/C10H14O/c1-3-10(2,11)9-7-5-4-6-8-9/h4-8,11H,3H2,1-2H3
InChIKey
XGLHYBVJPSZXIF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenylbutan-2-ol
CAS: 1565-75-9
CID: 15283
Formula: C10H14O
MW: 150.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.22
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass150.104465066
Monoisotopic Mass150.104465066
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity116
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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