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1-Phenylhex-5-en-1-one

CAT: 0926-XAA52425-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-XAA52425-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22524-25-0
MDL Number
MFCD20354278
Smiles
C=CCCCC (=O) C1=CC=CC=C1
Molecular Formula
C12H14O
Molecular Weight
174.24 g/mol
Controlled
No

Chemical Information

1-Phenylhex-5-en-1-one
CAS Number22524-25-0
PubChem CID10877633
IUPAC Name1-phenylhex-5-en-1-one
Molecular FormulaC12H14O
Molecular Weight174.24
XLogP3
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count13
Formal Charge0
Complexity166
SMILES
C=CCCCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C12H14O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h2,4,6-9H,1,3,5,10H2
InChIKey
FNMHKQVEFZLMQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Phenylhex-5-en-1-one
CAS: 22524-25-0
CID: 10877633
Formula: C12H14O
MW: 174.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.24
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass174.104465066
Monoisotopic Mass174.104465066
Topological Polar Surface Area17.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity166
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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