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1-Phenoxy-2-propanol

CAT: 0572-TRC-P301700-250GSize: 250 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P301700-250GSize:250 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
770-35-4
Hazard Statement
Causes serious eye irritation
Purity
>95% (HPLC)
Smiles
CC(O)COc1ccccc1
Molecular Formula
C9 H12 O2
Molecular Weight
152.19
InChI
InChI=1S/C9H12O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
Additionnal Information
IUPAC name: 1-phenoxypropan-2-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-Phenoxy-2-propanol
CAS Number770-35-4
PubChem CID92839
IUPAC Name1-phenoxypropan-2-ol
Molecular FormulaC9H12O2
Molecular Weight152.19
XLogP1.7
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity97
SMILES
CC(COC1=CC=CC=C1)O
InChI
InChI=1S/C9H12O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKey
IBLKWZIFZMJLFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Phenoxy-2-propanol
CAS: 770-35-4
CID: 92839
Formula: C9H12O2
MW: 152.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.19
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass152.083729621
Monoisotopic Mass152.083729621
Topological Polar Surface Area29.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity97.7
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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