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Home > Other Heterocycles > 2059945-52-5
2059945-52-5 | 6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane
CAS No: 2059945-52-5 Catalog No: AG01BZQA MDL No:MFCD30488841
Product Description
Catalog Number:
AG01BZQA
Chemical Name:
6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane
CAS Number:
2059945-52-5
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
MDL Number:
MFCD30488841
IUPAC Name:
6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane
InChI:
InChI=1S/C13H17N/c1-9-3-2-4-10(5-9)12-6-11-7-14-8-13(11)12/h2-5,11-14H,6-8H2,1H3
InChI Key:
YONGCLDEMCSDDR-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C1CC2C1CNC2
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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