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20687-53-0 | 2-Pyrrolidinone, 1-(1,1-dimethylethyl)-
CAS No: 20687-53-0 Catalog No: AG002IQK MDL No:
Product Description
Catalog Number:
AG002IQK
Chemical Name:
2-Pyrrolidinone, 1-(1,1-dimethylethyl)-
CAS Number:
20687-53-0
Molecular Formula:
C8H15NO
Molecular Weight:
141.2108
IUPAC Name:
1-tert-butylpyrrolidin-2-one
InChI:
InChI=1S/C8H15NO/c1-8(2,3)9-6-4-5-7(9)10/h4-6H2,1-3H3
InChI Key:
LUVQSCCABURXJL-UHFFFAOYSA-N
SMILES:
O=C1CCCN1C(C)(C)C
EC Number:
243-972-3
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.115g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.214g/mol
Monoisotopic Mass:
141.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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