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Home > Imidazoles > 1932112-68-9
1932112-68-9 | 2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazole
CAS No: 1932112-68-9 Catalog No: AG01C4D2 MDL No:MFCD30180360
Product Description
Catalog Number:
AG01C4D2
Chemical Name:
2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazole
CAS Number:
1932112-68-9
Molecular Formula:
C8H13N3O
Molecular Weight:
167.2083
MDL Number:
MFCD30180360
IUPAC Name:
2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
InChI:
InChI=1S/C8H13N3O/c1-12-6-4-7(11-5-6)8-9-2-3-10-8/h2-3,6-7,11H,4-5H2,1H3,(H,9,10)
InChI Key:
ISPKAKJVQQMQMU-UHFFFAOYSA-N
SMILES:
CO[C@H]1CN[C@@H](C1)c1ncc[nH]1
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.212g/mol
Monoisotopic Mass:
167.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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