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1820718-10-2 | 3,3-dimethyl-4-(1-methyl-1H-imidazol-2-yl)azetidin-2-one
CAS No: 1820718-10-2 Catalog No: AG01AL5C MDL No:MFCD29033819
Product Description
Catalog Number:
AG01AL5C
Chemical Name:
3,3-dimethyl-4-(1-methyl-1H-imidazol-2-yl)azetidin-2-one
CAS Number:
1820718-10-2
Molecular Formula:
C9H13N3O
Molecular Weight:
179.2190
MDL Number:
MFCD29033819
IUPAC Name:
3,3-dimethyl-4-(1-methylimidazol-2-yl)azetidin-2-one
InChI:
InChI=1S/C9H13N3O/c1-9(2)6(11-8(9)13)7-10-4-5-12(7)3/h4-6H,1-3H3,(H,11,13)
InChI Key:
CGYLDXQRVBHUFT-UHFFFAOYSA-N
SMILES:
O=C1NC(C1(C)C)c1nccn1C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.223g/mol
Monoisotopic Mass:
179.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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