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116447-40-6 | 2-Azabicyclo[3.1.0]hexane-1-carboxylic acid, 3-oxo-
CAS No: 116447-40-6 Catalog No: AG000CIM MDL No:MFCD00766808
Product Description
Catalog Number:
AG000CIM
Chemical Name:
2-Azabicyclo[3.1.0]hexane-1-carboxylic acid, 3-oxo-
CAS Number:
116447-40-6
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
MDL Number:
MFCD00766808
IUPAC Name:
3-oxo-2-azabicyclo[3.1.0]hexane-1-carboxylic acid
InChI:
InChI=1S/C6H7NO3/c8-4-1-3-2-6(3,7-4)5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)
InChI Key:
NVCNPLRRJWIKMS-UHFFFAOYSA-N
SMILES:
O=C1CC2C(N1)(C2)C(=O)O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
141.126g/mol
Monoisotopic Mass:
141.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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