Home Sulfos 3-Buten-1-ol, 3-methyl-, methanesulfonate

3-Buten-1-ol, 3-methyl-, methanesulfonate

CAS No.:
80352-66-5
Catalog Number:
AG008MX4
Molecular Formula:
C6H14O4S
Molecular Weight:
182.2380
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Product Description
Catalog Number:
AG008MX4
Chemical Name:
3-Buten-1-ol, 3-methyl-, methanesulfonate
CAS Number:
80352-66-5
Molecular Formula:
C6H14O4S
Molecular Weight:
182.2380
MDL Number:
MFCD27500702
IUPAC Name:
methanesulfonic acid;3-methylbut-3-en-1-ol
InChI:
InChI=1S/C5H10O.CH4O3S/c1-5(2)3-4-6;1-5(2,3)4/h6H,1,3-4H2,2H3;1H3,(H,2,3,4)
InChI Key:
WLNVESKREVNYOC-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.OCCC(=C)C
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.061g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
182.234g/mol
Monoisotopic Mass:
182.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties