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2-Phenyl-1,3-propanediol

CAT: 0572-TRC-P336090-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P336090-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1570-95-2
Synonyms
2-Phenyl-1,3-propane-1,1,3,3-diol; NSC 78023;
Hazard Statement
No Data Available
Smiles
OCC(CO)c1ccccc1
Molecular Formula
C9H12O2
Molecular Weight
152.19
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

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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sc-4788021-Phenyl-1,2-propanediol
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