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2060047-28-9 | [3-(azetidin-3-yl)-1,2-oxazol-5-yl]methanol, methanesulfonic acid
CAS No: 2060047-28-9 Catalog No: AG01C02F MDL No:MFCD30497788
Product Description
Catalog Number:
AG01C02F
Chemical Name:
[3-(azetidin-3-yl)-1,2-oxazol-5-yl]methanol, methanesulfonic acid
CAS Number:
2060047-28-9
Molecular Formula:
C8H14N2O5S
Molecular Weight:
250.2722
MDL Number:
MFCD30497788
IUPAC Name:
[3-(azetidin-3-yl)-1,2-oxazol-5-yl]methanol;methanesulfonic acid
InChI:
InChI=1S/C7H10N2O2.CH4O3S/c10-4-6-1-7(9-11-6)5-2-8-3-5;1-5(2,3)4/h1,5,8,10H,2-4H2;1H3,(H,2,3,4)
InChI Key:
PLWDHLKBCSYOGB-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.OCc1onc(c1)C1CNC1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
250.269g/mol
Monoisotopic Mass:
250.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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