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2-Phenyl-1,3-propanediol

CAT: 0804-HY-W004830-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W004830-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2-Phenyl-1,3-propanediol (2-Phenylpropane-1,3-diol) is a chiral ligand[1].
CAS Number
1570-95-2
Product Name Alternative
2-Phenylpropane-1,3-diol
UNSPSC
12352005
Hazard Statement
H318
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Purity
99.92
Smiles
OCC(C1=CC=CC=C1)CO
Molecular Formula
C9H12O2
Molecular Weight
152.19
Precautions
H318
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

2-Phenyl-1,3-propanediol
CAS Number1570-95-2
PubChem CID254178
IUPAC Name2-phenylpropane-1,3-diol
Molecular FormulaC9H12O2
Molecular Weight152.19
XLogP0.6
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity93
SMILES
C1=CC=C(C=C1)C(CO)CO
InChI
InChI=1S/C9H12O2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
InChIKey
BPBDZXFJDMJLIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenyl-1,3-propanediol
CAS: 1570-95-2
CID: 254178
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 Count3
Exact Mass152.083729621
Monoisotopic Mass152.083729621
Topological Polar Surface Area40.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity93.7
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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Alternative Products

CatalogName
TRC-P336090-1G2-Phenyl-1,3-propanediol
0195792-Phenyl-1,3-propanediol-d4
OR1051790-012-Phenyl-1,2-propanediol
sc-4788021-Phenyl-1,2-propanediol
258351-012-Amino-1-phenyl-1,3-propanediol
TRC-E247650-500MG2-Ethyl-2-phenyl-1,3-propanediol
OR4707652- (Hydroxymethyl) -2-phenyl-1,3-propanediol
sc-253391(R) - (+) -1-Phenyl-1,3-propanediol
TRC-P103540-500MG(1R)-1-Phenyl-1,3-propanediol
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