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Home > Other Heterocycles > 849669-62-1
849669-62-1 | 9-Azabicyclo[6.2.0]decan-10-one, 9-(phenylmethyl)-
CAS No: 849669-62-1 Catalog No: AG004QKO MDL No:
Product Description
Catalog Number:
AG004QKO
Chemical Name:
9-Azabicyclo[6.2.0]decan-10-one, 9-(phenylmethyl)-
CAS Number:
849669-62-1
Molecular Formula:
C16H21NO
Molecular Weight:
243.3440
IUPAC Name:
9-benzyl-9-azabicyclo[6.2.0]decan-10-one
InChI:
InChI=1S/C16H21NO/c18-16-14-10-6-1-2-7-11-15(14)17(16)12-13-8-4-3-5-9-13/h3-5,8-9,14-15H,1-2,6-7,10-12H2
InChI Key:
SPQPZVXEHIYLLI-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccccc2)C2C1CCCCCC2
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.162g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.35g/mol
Monoisotopic Mass:
243.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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