Home Carboxys 3-Azabicyclo[3.1.1]heptane-6-carboxylic acid, methyl ester

3-Azabicyclo[3.1.1]heptane-6-carboxylic acid, methyl ester

CAS No.:
1363381-51-4
Catalog Number:
AG0011OG
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
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Product Description
Catalog Number:
AG0011OG
Chemical Name:
3-Azabicyclo[3.1.1]heptane-6-carboxylic acid, methyl ester
CAS Number:
1363381-51-4
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
MDL Number:
MFCD21647390
IUPAC Name:
methyl 3-azabicyclo[3.1.1]heptane-6-carboxylate
InChI:
InChI=1S/C8H13NO2/c1-11-8(10)7-5-2-6(7)4-9-3-5/h5-7,9H,2-4H2,1H3
InChI Key:
PPFNTLCZEGSHSC-UHFFFAOYSA-N
SMILES:
COC(=O)C1C2CNCC1C2
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties