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102469-36-3 | 2,5-Pyrrolidinedione, 1-(2-naphthalenyl)-3-(phenylmethyl)-
CAS No: 102469-36-3 Catalog No: AG0007K9 MDL No:
Product Description
Catalog Number:
AG0007K9
Chemical Name:
2,5-Pyrrolidinedione, 1-(2-naphthalenyl)-3-(phenylmethyl)-
CAS Number:
102469-36-3
Molecular Formula:
C21H17NO2
Molecular Weight:
315.3652
IUPAC Name:
3-benzyl-1-naphthalen-2-ylpyrrolidine-2,5-dione
InChI:
InChI=1S/C21H17NO2/c23-20-14-18(12-15-6-2-1-3-7-15)21(24)22(20)19-11-10-16-8-4-5-9-17(16)13-19/h1-11,13,18H,12,14H2
InChI Key:
UFEAPLPGZPAYQR-UHFFFAOYSA-N
SMILES:
O=C1CC(C(=O)N1c1ccc2c(c1)cccc2)Cc1ccccc1
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.372g/mol
Monoisotopic Mass:
315.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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