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113502-55-9,MFCD27965995
Catalog No.:AA0008Q3
113502-55-9 | Methanone, (2,3-dihydro-1H-pyrrolizin-5-yl)phenyl-
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0008Q3
Chemical Name:
Methanone, (2,3-dihydro-1H-pyrrolizin-5-yl)phenyl-
CAS Number:
113502-55-9
Molecular Formula:
C14H13NO
Molecular Weight:
211.2591
MDL Number:
MFCD27965995
IUPAC Name:
6,7-dihydro-5H-pyrrolizin-3-yl(phenyl)methanone
InChI:
InChI=1S/C14H13NO/c16-14(11-5-2-1-3-6-11)13-9-8-12-7-4-10-15(12)13/h1-3,5-6,8-9H,4,7,10H2
InChI Key:
DHUITNLXEMJSMU-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2n1CCC2)c1ccccc1
UNII:
9C0MT6TTH9
Properties
Computed Properties
 
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.1g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.264g/mol
Monoisotopic Mass:
211.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
113502-55-9 
UNII-9C0MT6TTH9 
1-Descarboxy Ketorolac 
ACMC-20mie0 
MLS004856446 
CHEMBL3134487 
SCHEMBL14577623 
CTK0C9402 
DTXSID20150430 
ZINC67665129 
AKOS030239692 
SMR003599704 
Methanone, (2,3-dihydro-1H-pyrrolizin-5-yl)phenyl- 
6,7-dihydro-5H-pyrrolizin-3-yl(phenyl)methanone 
Ketorolac EP Impurity I 
N/A 
Phenyl(2,3-dihydro-1H-pyrrolizin-5-yl)methanone 
5-Benzoyl-2,3-dihydro-1H-pyrrolizine 
9C0MT6TTH9 
(2,3-Dihydro-1H-pyrrolizin-5-yl)(phenyl)methanone 
Ketorolac related compound D 
Ketorolac related compound D [USP] 
Ketorolac trometamol impurity I [EP] 
Literature
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