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2-Propanol

CAT: 0127-OR1076284-01Size: 500 mLDry Ice: NoHazardous: No
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CAT#:0127-OR1076284-01Size:500 mL
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CAS Number
67-63-0
Synonyms
Isopropyl alcohol
MDL Number
MFCD00011674
Smiles
CC(C)O
Notes
Plastic-coated Glass Bottle

Chemical Information

Isopropanol

Propan-2-ol is a secondary alcohol that is propane in which one of the hydrogens attached to the central carbon is substituted by a hydroxy group. It has a role as a protic solvent. It is a secondary fatty alcohol and a secondary alcohol.

CAS Number67-63-0
PubChem CID3776
IUPAC Namepropan-2-ol
Molecular FormulaC3H8O
Molecular Weight60.10
XLogP0.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count4
Formal Charge0
Complexity10
SMILES
CC(C)O
InChI
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChIKey
KFZMGEQAYNKOFK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isopropanol
CAS: 67-63-0
CID: 3776
Formula: C3H8O
MW: 60.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight60.10
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass60.057514874
Monoisotopic Mass60.057514874
Topological Polar Surface Area20.2 Ų
Heavy Atom Count4
Formal Charge0
Complexity10.8
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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