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Home > Other Heterocycles > 1198604-53-3
1198604-53-3 | 3-Azabicyclo[3.1.0]hexan-2-one, 3-(phenylmethyl)-
CAS No: 1198604-53-3 Catalog No: AG000PSJ MDL No:MFCD21099566
Product Description
Catalog Number:
AG000PSJ
Chemical Name:
3-Azabicyclo[3.1.0]hexan-2-one, 3-(phenylmethyl)-
CAS Number:
1198604-53-3
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD21099566
IUPAC Name:
3-benzyl-3-azabicyclo[3.1.0]hexan-2-one
InChI:
InChI=1S/C12H13NO/c14-12-11-6-10(11)8-13(12)7-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChI Key:
ZSWYHQBTOWUEBA-UHFFFAOYSA-N
SMILES:
O=C1N(CC2C1C2)Cc1ccccc1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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