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16156-55-1 | 1-Butanol, 3-methyl-, 1-methanesulfonate
CAS No: 16156-55-1 Catalog No: AG001VPI MDL No:
Product Description
Catalog Number:
AG001VPI
Chemical Name:
1-Butanol, 3-methyl-, 1-methanesulfonate
CAS Number:
16156-55-1
Molecular Formula:
C6H14O3S
Molecular Weight:
166.2386
IUPAC Name:
3-methylbutyl methanesulfonate
InChI:
InChI=1S/C6H14O3S/c1-6(2)4-5-9-10(3,7)8/h6H,4-5H2,1-3H3
InChI Key:
CPKOUXPEJOKKNM-UHFFFAOYSA-N
SMILES:
CC(CCOS(=O)(=O)C)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.066g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.235g/mol
Monoisotopic Mass:
166.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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