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16156-50-6 | Methanesulfonic acid, hexyl ester
CAS No: 16156-50-6 Catalog No: AG001VPM MDL No:MFCD00674707
Product Description
Catalog Number:
AG001VPM
Chemical Name:
Methanesulfonic acid, hexyl ester
CAS Number:
16156-50-6
Molecular Formula:
C7H16O3S
Molecular Weight:
180.2651
MDL Number:
MFCD00674707
IUPAC Name:
hexyl methanesulfonate
InChI:
InChI=1S/C7H16O3S/c1-3-4-5-6-7-10-11(2,8)9/h3-7H2,1-2H3
InChI Key:
URIRDRHUUFRHAS-UHFFFAOYSA-N
SMILES:
CCCCCCOS(=O)(=O)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.082g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.262g/mol
Monoisotopic Mass:
180.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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