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Home > Other Heterocycles > 78805-80-8
78805-80-8 | 2-Azabicyclo[2.2.1]hept-5-en-3-one, 2-(phenylmethyl)-
CAS No: 78805-80-8 Catalog No: AG0055CJ MDL No:
Product Description
Catalog Number:
AG0055CJ
Chemical Name:
2-Azabicyclo[2.2.1]hept-5-en-3-one, 2-(phenylmethyl)-
CAS Number:
78805-80-8
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
IUPAC Name:
2-benzyl-2-azabicyclo[2.2.1]hept-5-en-3-one
InChI:
InChI=1S/C13H13NO/c15-13-11-6-7-12(8-11)14(13)9-10-4-2-1-3-5-10/h1-7,11-12H,8-9H2
InChI Key:
XEFJEWOXUFCIDO-UHFFFAOYSA-N
SMILES:
O=C1C2C=CC(N1Cc1ccccc1)C2
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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