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Home > Pyridines > 835651-92-8
835651-92-8 | 2-Azetidinone, 3,3-dimethyl-1-phenyl-4-(3-pyridinyl)-
CAS No: 835651-92-8 Catalog No: AG004ZAC MDL No:
Product Description
Catalog Number:
AG004ZAC
Chemical Name:
2-Azetidinone, 3,3-dimethyl-1-phenyl-4-(3-pyridinyl)-
CAS Number:
835651-92-8
Molecular Formula:
C16H16N2O
Molecular Weight:
252.3110
IUPAC Name:
3,3-dimethyl-1-phenyl-4-pyridin-3-ylazetidin-2-one
InChI:
InChI=1S/C16H16N2O/c1-16(2)14(12-7-6-10-17-11-12)18(15(16)19)13-8-4-3-5-9-13/h3-11,14H,1-2H3
InChI Key:
PODMRKGGNZJWMD-UHFFFAOYSA-N
SMILES:
O=C1N(c2ccccc2)C(C1(C)C)c1cccnc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.317g/mol
Monoisotopic Mass:
252.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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