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113502-52-6 | 1H-Pyrrolizin-1-one, 5-benzoyl-2,3-dihydro-
CAS No: 113502-52-6 Catalog No: AG0008SW MDL No:
Product Description
Catalog Number:
AG0008SW
Chemical Name:
1H-Pyrrolizin-1-one, 5-benzoyl-2,3-dihydro-
CAS Number:
113502-52-6
Molecular Formula:
C14H11NO2
Molecular Weight:
225.2426
IUPAC Name:
5-benzoyl-2,3-dihydropyrrolizin-1-one
InChI:
InChI=1S/C14H11NO2/c16-13-8-9-15-11(13)6-7-12(15)14(17)10-4-2-1-3-5-10/h1-7H,8-9H2
InChI Key:
NFKBMHXYCKRXPQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2n1CCC2=O)c1ccccc1
UNII:
AD3BGE2V2U
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.247g/mol
Monoisotopic Mass:
225.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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