AG0008SW

113502-52-6 | 1H-Pyrrolizin-1-one, 5-benzoyl-2,3-dihydro-

AG0008SW

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CAS Number	113502-52-6
Catalog Number	AG0008SW(AGN-PC-0BSDNG)
Chemical Name	1H-Pyrrolizin-1-one, 5-benzoyl-2,3-dihydro-
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
MDL Number	MFCD22048820
Molecular Formula	C14H11NO2
Molecular Weight	225.2426
SMILES	O=C1C2=CC=C(C(C3=CC=CC=C3)=O)N2CC1
UNII	AD3BGE2V2U
Synonyms	113502-52-6, 5-Benzoyl-2,3-dihydro-1H-pyrrolizin-1-one, 1H-Pyrrolizin-1-one, 5-benzoyl-2,3-dihydro-, UNII-AD3BGE2V2U, AD3BGE2V2U, 5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-one, Ketorolac related compound C, 1-Keto Ketorolac, Ketorolac related compound C [USP], ACMC-20midz, Ketorolac trometamol specified impurity B [EP], SCHEMBL1423217, CTK0C9403, DTXSID10150429, Ketorolac tromethamine impurity, ketorolac 1-keto analog- [USP], ZINC67665122, AKOS030239639, 5-benzoyl-2,3-dihydro-pyrrolizin-1-one, FT-0670639, 5-BENZOYL-2,3-DIHYDROPYRROLIZIN-1-ONE, 5-Benzoyl-2,3-dihydro-1H-pyrrolizin-1-one (Ketorolac 1-Keto Analog), 1h-pirrolizin-1-ona, 5-benzoil-2,3-dihidro-,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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