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3-Phenylprop-2-ynamide

CAT: 0127-OR22937-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR22937-03Size:1 g
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CAS Number
7223-30-5
MDL Number
MFCD00110991
Purity
95%
Smiles
NC (=O) C#Cc1ccccc1

Chemical Information

3-Phenylprop-2-ynamide
CAS Number7223-30-5
PubChem CID522449
IUPAC Name3-phenylprop-2-ynamide
Molecular FormulaC9H7NO
Molecular Weight145.16
XLogP1.4
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity202
SMILES
C1=CC=C(C=C1)C#CC(=O)N
InChI
InChI=1S/C9H7NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H2,10,11)
InChIKey
HJZZEVFDPBDIDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Phenylprop-2-ynamide
CAS: 7223-30-5
CID: 522449
Formula: C9H7NO
MW: 145.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight145.16
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass145.052763847
Monoisotopic Mass145.052763847
Topological Polar Surface Area43.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity202
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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