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2555-04-6 | 1,4-Dimethylpyrrolidin-2-one
CAS No: 2555-04-6 Catalog No: AG00398P MDL No:
Product Description
Catalog Number:
AG00398P
Chemical Name:
1,4-Dimethylpyrrolidin-2-one
CAS Number:
2555-04-6
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
IUPAC Name:
1,4-dimethylpyrrolidin-2-one
InChI:
InChI=1S/C6H11NO/c1-5-3-6(8)7(2)4-5/h5H,3-4H2,1-2H3
InChI Key:
AXSSJSFXWMOTEN-UHFFFAOYSA-N
SMILES:
CC1CC(=O)N(C1)C
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
113.16g/mol
Monoisotopic Mass:
113.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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