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89442-76-2 | 2-Propanone, 1-(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)-
CAS No: 89442-76-2 Catalog No: AG0043FH MDL No:
Product Description
Catalog Number:
AG0043FH
Chemical Name:
2-Propanone, 1-(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)-
CAS Number:
89442-76-2
Molecular Formula:
C17H17NO2
Molecular Weight:
267.3224
IUPAC Name:
1-(5-benzoyl-2,3-dihydro-1H-pyrrolizin-1-yl)propan-2-one
InChI:
InChI=1S/C17H17NO2/c1-12(19)11-14-9-10-18-15(14)7-8-16(18)17(20)13-5-3-2-4-6-13/h2-8,14H,9-11H2,1H3
InChI Key:
DZGKDAIAUXNIAA-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2n1CCC2CC(=O)C)c1ccccc1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.328g/mol
Monoisotopic Mass:
267.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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