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Home > Other Heterocycles > 849669-61-0
849669-61-0 | 9-Azabicyclo[6.2.0]dec-4-en-10-one, 9-(phenylmethyl)-
CAS No: 849669-61-0 Catalog No: AG004UK4 MDL No:
Product Description
Catalog Number:
AG004UK4
Chemical Name:
9-Azabicyclo[6.2.0]dec-4-en-10-one, 9-(phenylmethyl)-
CAS Number:
849669-61-0
Molecular Formula:
C16H19NO
Molecular Weight:
241.3282
IUPAC Name:
9-benzyl-9-azabicyclo[6.2.0]dec-4-en-10-one
InChI:
InChI=1S/C16H19NO/c18-16-14-10-6-1-2-7-11-15(14)17(16)12-13-8-4-3-5-9-13/h1-5,8-9,14-15H,6-7,10-12H2
InChI Key:
NWAIKZYIQAWVJV-UHFFFAOYSA-N
SMILES:
O=C1C2CCC=CCCC2N1Cc1ccccc1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.334g/mol
Monoisotopic Mass:
241.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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