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Home > Other Heterocycles > 189003-20-1
189003-20-1 | 7-Azabicyclo[4.2.0]oct-4-en-8-one, 7-(phenylmethyl)-
CAS No: 189003-20-1 Catalog No: AG002HPE MDL No:
Product Description
Catalog Number:
AG002HPE
Chemical Name:
7-Azabicyclo[4.2.0]oct-4-en-8-one, 7-(phenylmethyl)-
CAS Number:
189003-20-1
Molecular Formula:
C14H15NO
Molecular Weight:
213.2750
IUPAC Name:
7-benzyl-7-azabicyclo[4.2.0]oct-4-en-8-one
InChI:
InChI=1S/C14H15NO/c16-14-12-8-4-5-9-13(12)15(14)10-11-6-2-1-3-7-11/h1-3,5-7,9,12-13H,4,8,10H2
InChI Key:
DWVCTTMWBMIKDB-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccccc2)C2C1CCC=C2
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.28g/mol
Monoisotopic Mass:
213.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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