1-(3-ethynylphenyl)-3,3-dimethylazetidin-2-one


Chemical Name: 1-(3-ethynylphenyl)-3,3-dimethylazetidin-2-one
CAS Number: 886361-64-4
Product Number: AG00IF9R(AGN-PC-0KKPQ8)
Synonyms:
MDL No:
Molecular Formula: C13H13NO
Molecular Weight: 199.2484

Identification/Properties


Computed Properties
Molecular Weight:
199.253g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
199.1g/mol
Monoisotopic Mass:
199.1g/mol
Topological Polar Surface Area:
20.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
323
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback