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2138562-21-5 | 5-(iodomethyl)-4,4-dimethylpyrrolidin-2-one
CAS No: 2138562-21-5 Catalog No: AG01EM05 MDL No:MFCD31558984
Product Description
Catalog Number:
AG01EM05
Chemical Name:
5-(iodomethyl)-4,4-dimethylpyrrolidin-2-one
CAS Number:
2138562-21-5
Molecular Formula:
C7H12INO
Molecular Weight:
253.0807
MDL Number:
MFCD31558984
IUPAC Name:
5-(iodomethyl)-4,4-dimethylpyrrolidin-2-one
InChI:
InChI=1S/C7H12INO/c1-7(2)3-6(10)9-5(7)4-8/h5H,3-4H2,1-2H3,(H,9,10)
InChI Key:
ULZSEJOSSQVXKS-UHFFFAOYSA-N
SMILES:
ICC1NC(=O)CC1(C)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.996g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.083g/mol
Monoisotopic Mass:
252.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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