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2'-Hydroxy-5'-methylacetophenone

CAT: 0804-HY-W100681-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-W100681-02Size:10 mM - 1 mL
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Description
2'-Hydroxy-5'-methylacetophenone belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
CAS Number
1450-72-2
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Drug Intermediate
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/2-hydroxy-5-methylacetophenone.html
Purity
99.99
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
CC1=CC(=C(C=C1)O)C(=O)C
Molecular Formula
C9H10O2
Molecular Weight
150.18
Precautions
H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-Hydroxy-5-methylacetophenone

2'-Hydroxy-5'-methylacetophenone is an aromatic ketone.

CAS Number1450-72-2
PubChem CID15068
IUPAC Name1-(2-hydroxy-5-methylphenyl)ethanone
Molecular FormulaC9H10O2
Molecular Weight150.17
XLogP2.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity154
SMILES
CC1=CC(=C(C=C1)O)C(=O)C
InChI
InChI=1S/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H3
InChIKey
YNPDFBFVMJNGKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-5-methylacetophenone
CAS: 1450-72-2
CID: 15068
Formula: C9H10O2
MW: 150.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.17
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass150.068079557
Monoisotopic Mass150.068079557
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity154
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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