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13918-01-9 | 3-Pyrrolidinone, 1-ethyl-2,2-dimethyl-5-phenyl-
CAS No: 13918-01-9 Catalog No: AG001AG9 MDL No:
Product Description
Catalog Number:
AG001AG9
Chemical Name:
3-Pyrrolidinone, 1-ethyl-2,2-dimethyl-5-phenyl-
CAS Number:
13918-01-9
Molecular Formula:
C14H19NO
Molecular Weight:
217.3068
IUPAC Name:
1-ethyl-2,2-dimethyl-5-phenylpyrrolidin-3-one
InChI:
InChI=1S/C14H19NO/c1-4-15-12(10-13(16)14(15,2)3)11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3
InChI Key:
JPEKEYMPSJAWTK-UHFFFAOYSA-N
SMILES:
CCN1C(CC(=O)C1(C)C)c1ccccc1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.312g/mol
Monoisotopic Mass:
217.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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