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1-Acenaphthenone

CAT: 0572-TRC-A130755-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A130755-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2235-15-6
Synonyms
1-Acenaphthone; 2-Acenaphthone; Acenaphthenone; Acenaphthylen-1-one; NSC 18756; NSC 22341; 1-Acenaphthenone (6CI,7CI,8CI); 1,2-Dihydroacenaphthylen-1-one; 2H-Acenaphthylen-1-one
Hazard Statement
Very toxic to aquatic life; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
O=C1Cc2cccc3cccc1c23
Molecular Formula
C12 H8 O
Molecular Weight
168.19
InChI
InChI=1S/C12H8O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6H,7H2
Additionnal Information
IUPAC name: 2H-acenaphthylen-1-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-Acenaphthenone
CAS Number2235-15-6
PubChem CID75229
IUPAC Name2H-acenaphthylen-1-one
Molecular FormulaC12H8O
Molecular Weight168.19
XLogP2.6
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity233
SMILES
C1C2=CC=CC3=C2C(=CC=C3)C1=O
InChI
InChI=1S/C12H8O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6H,7H2
InChIKey
JBXIOAKUBCTDES-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Acenaphthenone
CAS: 2235-15-6
CID: 75229
Formula: C12H8O
MW: 168.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.19
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass168.057514874
Monoisotopic Mass168.057514874
Topological Polar Surface Area17.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity233
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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