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88461-05-6 | 1,3-Cyclopentanedione, 2-[5-oxo-1-(phenylmethyl)-2-pyrrolidinyl]-
CAS No: 88461-05-6 Catalog No: AG004CNH MDL No:
Product Description
Catalog Number:
AG004CNH
Chemical Name:
1,3-Cyclopentanedione, 2-[5-oxo-1-(phenylmethyl)-2-pyrrolidinyl]-
CAS Number:
88461-05-6
Molecular Formula:
C16H17NO3
Molecular Weight:
271.3111
IUPAC Name:
2-(1-benzyl-5-oxopyrrolidin-2-yl)cyclopentane-1,3-dione
InChI:
InChI=1S/C16H17NO3/c18-13-7-8-14(19)16(13)12-6-9-15(20)17(12)10-11-4-2-1-3-5-11/h1-5,12,16H,6-10H2
InChI Key:
XRERXODYOILOIA-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)C1C1CCC(=O)N1Cc1ccccc1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.316g/mol
Monoisotopic Mass:
271.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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