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Home > Other Heterocycles > 139927-14-3
139927-14-3 | Methanone, 2-azabicyclo[2.2.1]hept-5-en-2-ylphenyl-
CAS No: 139927-14-3 Catalog No: AG001BTB MDL No:
Product Description
Catalog Number:
AG001BTB
Chemical Name:
Methanone, 2-azabicyclo[2.2.1]hept-5-en-2-ylphenyl-
CAS Number:
139927-14-3
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
IUPAC Name:
2-azabicyclo[2.2.1]hept-5-en-2-yl(phenyl)methanone
InChI:
InChI=1S/C13H13NO/c15-13(11-4-2-1-3-5-11)14-9-10-6-7-12(14)8-10/h1-7,10,12H,8-9H2
InChI Key:
QILAOJWDTFAWBP-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)N1CC2CC1C=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:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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