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123409-86-9 | 1-Azabicyclo[3.2.0]heptane-2-carboxylic acid, 7-oxo-, (2S,5S)-
CAS No: 123409-86-9 Catalog No: AG000KJ2 MDL No:
Product Description
Catalog Number:
AG000KJ2
Chemical Name:
1-Azabicyclo[3.2.0]heptane-2-carboxylic acid, 7-oxo-, (2S,5S)-
CAS Number:
123409-86-9
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
IUPAC Name:
(2S,5S)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
InChI:
InChI=1S/C7H9NO3/c9-6-3-4-1-2-5(7(10)11)8(4)6/h4-5H,1-3H2,(H,10,11)/t4-,5-/m0/s1
InChI Key:
RJPDELAUUYAFTQ-WHFBIAKZSA-N
SMILES:
OC(=O)[C@@H]1CC[C@@H]2N1C(=O)C2
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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