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117487-36-2 | 3-Octyn-2-ol, 2-methanesulfonate
CAS No: 117487-36-2 Catalog No: AG000ECC MDL No:
Product Description
Catalog Number:
AG000ECC
Chemical Name:
3-Octyn-2-ol, 2-methanesulfonate
CAS Number:
117487-36-2
Molecular Formula:
C9H16O3S
Molecular Weight:
204.2865
IUPAC Name:
methanesulfonic acid;oct-3-yn-2-ol
InChI:
InChI=1S/C8H14O.CH4O3S/c1-3-4-5-6-7-8(2)9;1-5(2,3)4/h8-9H,3-5H2,1-2H3;1H3,(H,2,3,4)
InChI Key:
XSVAWFSRDJEQNC-UHFFFAOYSA-N
SMILES:
CCCCC#CC(OS(=O)(=O)C)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.093g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.299g/mol
Monoisotopic Mass:
222.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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