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2059948-26-2 | 3-(azetidin-3-yl)-5-(methoxymethyl)-1,2-oxazole, methanesulfonic acid
CAS No: 2059948-26-2 Catalog No: AG01BRHY MDL No:MFCD30535735
Product Description
Catalog Number:
AG01BRHY
Chemical Name:
3-(azetidin-3-yl)-5-(methoxymethyl)-1,2-oxazole, methanesulfonic acid
CAS Number:
2059948-26-2
Molecular Formula:
C9H16N2O5S
Molecular Weight:
264.2987
MDL Number:
MFCD30535735
IUPAC Name:
3-(azetidin-3-yl)-5-(methoxymethyl)-1,2-oxazole;methanesulfonic acid
InChI:
InChI=1S/C8H12N2O2.CH4O3S/c1-11-5-7-2-8(10-12-7)6-3-9-4-6;1-5(2,3)4/h2,6,9H,3-5H2,1H3;1H3,(H,2,3,4)
InChI Key:
ROWFDZNSHNJUEH-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.COCc1onc(c1)C1CNC1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.296g/mol
Monoisotopic Mass:
264.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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