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145704-80-9 | 2,4-Pyrrolidinedione, 3,3-dimethyl-1-(1-phenylethyl)-, (R)- (9CI)
CAS No: 145704-80-9 Catalog No: AG001DBM MDL No:MFCD28502357
Product Description
Catalog Number:
AG001DBM
Chemical Name:
2,4-Pyrrolidinedione, 3,3-dimethyl-1-(1-phenylethyl)-, (R)- (9CI)
CAS Number:
145704-80-9
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
MDL Number:
MFCD28502357
IUPAC Name:
3,3-dimethyl-1-[(1R)-1-phenylethyl]pyrrolidine-2,4-dione
InChI:
InChI=1S/C14H17NO2/c1-10(11-7-5-4-6-8-11)15-9-12(16)14(2,3)13(15)17/h4-8,10H,9H2,1-3H3/t10-/m1/s1
InChI Key:
ADMUDBDDWUZHPO-SNVBAGLBSA-N
SMILES:
C[C@@H](N1CC(=O)C(C1=O)(C)C)c1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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