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Home > Other Heterocycles > 148236-92-4
148236-92-4 | 3-Azabicyclo[3.1.0]hexane-2,4-dione, 1-methyl-, (1S,5R)-
CAS No: 148236-92-4 Catalog No: AG001FJN MDL No:MFCD31617810
Product Description
Catalog Number:
AG001FJN
Chemical Name:
3-Azabicyclo[3.1.0]hexane-2,4-dione, 1-methyl-, (1S,5R)-
CAS Number:
148236-92-4
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD31617810
IUPAC Name:
(1S,5R)-1-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione
InChI:
InChI=1S/C6H7NO2/c1-6-2-3(6)4(8)7-5(6)9/h3H,2H2,1H3,(H,7,8,9)/t3-,6-/m0/s1
InChI Key:
COOSDAIGFVXLLU-DZSWIPIPSA-N
SMILES:
O=C1NC(=O)[C@@]2([C@H]1C2)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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