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Home > Pyridines > 1803609-54-2
1803609-54-2 | 3,3-dimethyl-4-(pyridin-3-yl)azetidin-2-one
CAS No: 1803609-54-2 Catalog No: AG01AL7Y MDL No:MFCD28954282
Product Description
Catalog Number:
AG01AL7Y
Chemical Name:
3,3-dimethyl-4-(pyridin-3-yl)azetidin-2-one
CAS Number:
1803609-54-2
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD28954282
IUPAC Name:
3,3-dimethyl-4-pyridin-3-ylazetidin-2-one
InChI:
InChI=1S/C10H12N2O/c1-10(2)8(12-9(10)13)7-4-3-5-11-6-7/h3-6,8H,1-2H3,(H,12,13)
InChI Key:
ZPMBCYNDALLEPZ-UHFFFAOYSA-N
SMILES:
O=C1NC(C1(C)C)c1cccnc1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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