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Home > Nitro Compounds > 34449-03-1
34449-03-1 | 3,3-dimethyl-1-(3-nitrophenyl)azetidin-2-one
CAS No: 34449-03-1 Catalog No: AG00INLQ MDL No:MFCD00793377
Product Description
Catalog Number:
AG00INLQ
Chemical Name:
3,3-dimethyl-1-(3-nitrophenyl)azetidin-2-one
CAS Number:
34449-03-1
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD00793377
IUPAC Name:
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
InChI Key:
VCZWLLLEYGGSRR-UHFFFAOYSA-N
SMILES:
O=C1N(CC1(C)C)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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