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3,3-dimethyl-1-(3-nitrophenyl)azetidin-2-one

3,3-dimethyl-1-(3-nitrophenyl)azetidin-2-one

CAS: 34449-03-1

Formula: C11H12N2O3

SMILES: CC1(C)CN(C1=O)C1=CC=CC(=C1)[N+]([O-])=O

IUPAC: 3,3-dimethyl-1-(3-nitrophenyl)azetidin-2-one

InChI: InChI=1S/C11H12N2O3/c1-11(2)7-12(10(11)14)8-4-3-5-9(6-8)13(15)16/h3-6H,7H2,1-2H3

Composition: C (59.99%), H (5.49%), N (12.72%), O (21.79%)

Molar Mass: 220.228

Atom Count: 28

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 220.084792254
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey VCZWLLLEYGGSRR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.57
Topological Polar Surface Area 63.45
Polarizability 21.9
Ring Count 2
Rotatable Bond Count 2

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90% <2 Days 34449-03-1 $51.35-$524.40$51.35$63.37$86.31$524.40
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