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Hexyl Methanesulfonate

CAT: 0572-TRC-H297155-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H297155-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16156-50-6
Synonyms
Hexyl Mesylate; n-Hexyl Methanesulfonate; Methanesulfonic Acid Hexyl Ester
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
CCCCCCOS(=O)(=O)C
Molecular Formula
C7 H16 O3 S
Molecular Weight
180.265
InChI
InChI=1S/C7H16O3S/c1-3-4-5-6-7-10-11(2,8)9/h3-7H2,1-2H3
Additionnal Information
IUPAC name: hexyl methanesulfonate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Hexyl methanesulfonate
CAS Number16156-50-6
PubChem CID12517373
IUPAC Namehexyl methanesulfonate
Molecular FormulaC7H16O3S
Molecular Weight180.27
XLogP2
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count11
Formal Charge0
Complexity167
SMILES
CCCCCCOS(=O)(=O)C
InChI
InChI=1S/C7H16O3S/c1-3-4-5-6-7-10-11(2,8)9/h3-7H2,1-2H3
InChIKey
URIRDRHUUFRHAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexyl methanesulfonate
CAS: 16156-50-6
CID: 12517373
Formula: C7H16O3S
MW: 180.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.27
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass180.08201554
Monoisotopic Mass180.08201554
Topological Polar Surface Area51.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity167
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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