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87802-44-6 | 2-Propen-1-ol, 2-ethoxy-, methanesulfonate
CAS No: 87802-44-6 Catalog No: AG004K51 MDL No:
Product Description
Catalog Number:
AG004K51
Chemical Name:
2-Propen-1-ol, 2-ethoxy-, methanesulfonate
CAS Number:
87802-44-6
Molecular Formula:
C6H14O5S
Molecular Weight:
198.2374
IUPAC Name:
2-ethoxyprop-2-en-1-ol;methanesulfonic acid
InChI:
InChI=1S/C5H10O2.CH4O3S/c1-3-7-5(2)4-6;1-5(2,3)4/h6H,2-4H2,1H3;1H3,(H,2,3,4)
InChI Key:
CNCKJILXSAGTBU-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.CCOC(=C)CO
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.233g/mol
Monoisotopic Mass:
198.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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