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828272-25-9 | Oxazole, 2-(1,1-dimethylethoxy)-4,5-dihydro-, methanesulfonate
CAS No: 828272-25-9 Catalog No: AG008IA7 MDL No:
Product Description
Catalog Number:
AG008IA7
Chemical Name:
Oxazole, 2-(1,1-dimethylethoxy)-4,5-dihydro-, methanesulfonate
CAS Number:
828272-25-9
Molecular Formula:
C8H17NO5S
Molecular Weight:
239.2893
IUPAC Name:
methanesulfonic acid;2-[(2-methylpropan-2-yl)oxy]-4,5-dihydro-1,3-oxazole
InChI:
InChI=1S/C7H13NO2.CH4O3S/c1-7(2,3)10-6-8-4-5-9-6;1-5(2,3)4/h4-5H2,1-3H3;1H3,(H,2,3,4)
InChI Key:
WRNNHFLXDPQWCZ-UHFFFAOYSA-N
SMILES:
CC(OC1=NCCO1)(C)C.CS(=O)(=O)O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.286g/mol
Monoisotopic Mass:
239.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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