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Home > Pyridines > 180181-64-0
180181-64-0 | 3,3-dimethyl-4-(pyridin-4-yl)azetidin-2-one
CAS No: 180181-64-0 Catalog No: AG01BBAP MDL No:MFCD24607678
Product Description
Catalog Number:
AG01BBAP
Chemical Name:
3,3-dimethyl-4-(pyridin-4-yl)azetidin-2-one
CAS Number:
180181-64-0
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD24607678
IUPAC Name:
3,3-dimethyl-4-pyridin-4-ylazetidin-2-one
InChI:
InChI=1S/C10H12N2O/c1-10(2)8(12-9(10)13)7-3-5-11-6-4-7/h3-6,8H,1-2H3,(H,12,13)
InChI Key:
KYLMCPQKMNYJGT-UHFFFAOYSA-N
SMILES:
O=C1NC(C1(C)C)c1ccncc1
Properties
Complexity:
219
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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