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748781-10-4 | 2H-Pyran-4-ol, tetrahydro-2-methyl-, methanesulfonate
CAS No: 748781-10-4 Catalog No: AG0058C6 MDL No:MFCD29054913
Product Description
Catalog Number:
AG0058C6
Chemical Name:
2H-Pyran-4-ol, tetrahydro-2-methyl-, methanesulfonate
CAS Number:
748781-10-4
Molecular Formula:
C7H16O5S
Molecular Weight:
212.2639
MDL Number:
MFCD29054913
IUPAC Name:
methanesulfonic acid;2-methyloxan-4-ol
InChI:
InChI=1S/C6H12O2.CH4O3S/c1-5-4-6(7)2-3-8-5;1-5(2,3)4/h5-7H,2-4H2,1H3;1H3,(H,2,3,4)
InChI Key:
ODJGTVOAZCDOKC-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.OC1CCOC(C1)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.26g/mol
Monoisotopic Mass:
212.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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