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20103-92-8 | 1,3-Propanedione, 1-phenyl-3-(1-pyrrolidinyl)-
CAS No: 20103-92-8 Catalog No: AG002D6L MDL No:
Product Description
Catalog Number:
AG002D6L
Chemical Name:
1,3-Propanedione, 1-phenyl-3-(1-pyrrolidinyl)-
CAS Number:
20103-92-8
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
1-phenyl-3-pyrrolidin-1-ylpropane-1,3-dione
InChI:
InChI=1S/C13H15NO2/c15-12(11-6-2-1-3-7-11)10-13(16)14-8-4-5-9-14/h1-3,6-7H,4-5,8-10H2
InChI Key:
YXQRHIPHCIQPPT-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC(=O)N1CCCC1
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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