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5-Acetyl-2-norbornene

CAT: 0572-TRC-A187150-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A187150-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5063-03-6
Synonyms
Ketone Methyl 5-norbornen-2-yl; 1-(Bicyclo[2.2.1]hept-5-en-2-yl)ethanone; 2-Acetyl-5-norbornene; 2-Acetylbicyclo[2.2.1]hept-5-ene; 5-Acetylnorbornene; 6-Acetylbicyclo[2.2.1]hept-2-ene; Methyl 5-norbornen-2-yl ketone
Hazard Statement
No Data Available
Smiles
CC(=O)C1C[C@@H]2C[C@H]1C=C2
Molecular Formula
C9H12O
Molecular Weight
136.19
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methyl (8,9,10-trinorborn-5-en-2-yl) ketone
CAS Number5063-03-6
PubChem CID107366
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)ethanone
Molecular FormulaC9H12O
Molecular Weight136.19
XLogP1.3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity193
SMILES
CC(=O)C1CC2CC1C=C2
InChI
InChI=1S/C9H12O/c1-6(10)9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-5H2,1H3
InChIKey
NIMLCWCLVJRPFY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl (8,9,10-trinorborn-5-en-2-yl) ketone
CAS: 5063-03-6
CID: 107366
Formula: C9H12O
MW: 136.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.19
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass136.088815002
Monoisotopic Mass136.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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