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2-Phenyl-1,2-propanediol

CAT: 0127-OR1051790-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1051790-01Size:250 mg
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CAS Number
4217-66-7
Purity
95%
Smiles
CC(O)(C1=CC=CC=C1)CO

Chemical Information

(+-)-2-Phenyl-1,2-propanediol

2-phenyl-1,2-propanediol is a glycol that is cumene carrying two hydroxy substituents at positions 1 and 2. It is a glycol and a member of benzenes. It derives from a hydride of a cumene.

CAS Number4217-66-7
PubChem CID97867
IUPAC Name2-phenylpropane-1,2-diol
Molecular FormulaC9H12O2
Molecular Weight152.19
XLogP0.6
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity119
SMILES
CC(CO)(C1=CC=CC=C1)O
InChI
InChI=1S/C9H12O2/c1-9(11,7-10)8-5-3-2-4-6-8/h2-6,10-11H,7H2,1H3
InChIKey
LNCZPZFNQQFXPT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (+-)-2-Phenyl-1,2-propanediol
CAS: 4217-66-7
CID: 97867
Formula: C9H12O2
MW: 152.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.19
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass152.083729621
Monoisotopic Mass152.083729621
Topological Polar Surface Area40.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity119
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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