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122996-35-4 | 2,5-Pyrrolidinedione, 3-amino-1-(phenylmethyl)-
CAS No: 122996-35-4 Catalog No: AG000JVP MDL No:
Product Description
Catalog Number:
AG000JVP
Chemical Name:
2,5-Pyrrolidinedione, 3-amino-1-(phenylmethyl)-
CAS Number:
122996-35-4
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
3-amino-1-benzylpyrrolidine-2,5-dione
InChI:
InChI=1S/C11H12N2O2/c12-9-6-10(14)13(11(9)15)7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2
InChI Key:
GMZALANDDBDSBU-UHFFFAOYSA-N
SMILES:
NC1CC(=O)N(C1=O)Cc1ccccc1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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