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Metoprolol impurity 42

CAT: 0804-HY-W097539-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W097539-01Size:100 mg
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Description
Metoprolol impurity 42 is an impurity of Metoprolol.
CAS Number
330976-39-1
UNSPSC
12352005
Hazard Statement
H302, H312, H315, H319, H332, H335
Target
Drug Intermediate
Related Pathways
Others
Field of Research
Others
Purity
97.92
Smiles
COCCC1=CC=CC=C1O
Molecular Formula
C9H12O2
Molecular Weight
152.19
Precautions
H302, H312, H315, H319, H332, H335
Shipping Conditions
Room Temperature
Storage Conditions
RT, stored under nitrogen
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

2-(2-Methoxyethyl)phenol
CAS Number330976-39-1
PubChem CID22645935
IUPAC Name2-(2-methoxyethyl)phenol
Molecular FormulaC9H12O2
Molecular Weight152.19
XLogP1.8
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity104
SMILES
COCCC1=CC=CC=C1O
InChI
InChI=1S/C9H12O2/c1-11-7-6-8-4-2-3-5-9(8)10/h2-5,10H,6-7H2,1H3
InChIKey
KLOHRGVQRCCZIF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Methoxyethyl)phenol
CAS: 330976-39-1
CID: 22645935
Formula: C9H12O2
MW: 152.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.19
XLogP31.8
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
Complexity104
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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