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2-Phenylcyclobutan-1-one

CAT: 0572-TRC-P400115-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P400115-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
42436-86-2
Hazard Statement
No Data Available
Smiles
O=C1CCC1c2ccccc2
Molecular Formula
C10H10O
Molecular Weight
146.18
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Phenylcyclobutanone
CAS Number42436-86-2
PubChem CID11469141
IUPAC Name2-phenylcyclobutan-1-one
Molecular FormulaC10H10O
Molecular Weight146.19
XLogP1.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity156
SMILES
C1CC(=O)C1C2=CC=CC=C2
InChI
InChI=1S/C10H10O/c11-10-7-6-9(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
BJFZFQHWYGJPQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenylcyclobutanone
CAS: 42436-86-2
CID: 11469141
Formula: C10H10O
MW: 146.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.19
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass146.073164938
Monoisotopic Mass146.073164938
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity156
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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