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824966-96-3 | 2-Pyrrolidinone, 3-(1,1-dimethylethyl)-
CAS No: 824966-96-3 Catalog No: AG004ZGC MDL No:
Product Description
Catalog Number:
AG004ZGC
Chemical Name:
2-Pyrrolidinone, 3-(1,1-dimethylethyl)-
CAS Number:
824966-96-3
Molecular Formula:
C8H15NO
Molecular Weight:
141.2108
IUPAC Name:
3-tert-butylpyrrolidin-2-one
InChI:
InChI=1S/C8H15NO/c1-8(2,3)6-4-5-9-7(6)10/h6H,4-5H2,1-3H3,(H,9,10)
InChI Key:
FCODJPHVAMHRQZ-UHFFFAOYSA-N
SMILES:
CC(C1CCNC1=O)(C)C
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:
1
Isotope Atom Count:
0
Molecular Weight:
141.214g/mol
Monoisotopic Mass:
141.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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