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2-Acetylphenanthrene

CAT: 0572-TRC-A188025-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A188025-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5960-69-0
Synonyms
Methyl 2-Phenanthryl Ketone; 1-(2-Phenanthrenyl)ethanone; 2-Acetylphenanthrene;NSC 402640;
Hazard Statement
No Data Available
Smiles
CC(=O)c1ccc2c(ccc3ccccc23)c1
Molecular Formula
C16H12O
Molecular Weight
220.27
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methyl 2-phenanthryl ketone

1-(2-phenanthrenyl)ethanone is a member of phenanthrenes.

CAS Number5960-69-0
PubChem CID80060
IUPAC Name1-phenanthren-2-ylethanone
Molecular FormulaC16H12O
Molecular Weight220.26
XLogP4.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity296
SMILES
CC(=O)C1=CC2=C(C=C1)C3=CC=CC=C3C=C2
InChI
InChI=1S/C16H12O/c1-11(17)13-8-9-16-14(10-13)7-6-12-4-2-3-5-15(12)16/h2-10H,1H3
InChIKey
CWILMKDSVMROHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-phenanthryl ketone
CAS: 5960-69-0
CID: 80060
Formula: C16H12O
MW: 220.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.26
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass220.088815002
Monoisotopic Mass220.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity296
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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