Hycanthone

CAT: 0127-BUP20739-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP20739-02Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

186020-66-6

Synonyms

Etrenol (mesylate), Win 249-33

Purity

=98%

Smiles

C(CCOCCOCCOCCO)(OC(C)(C)C)=O

Chemical Information

tert-Butyl 12-hydroxy-4,7,10-trioxadodecanoate

CAS Number	186020-66-6
PubChem CID	3625858
IUPAC Name	tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate
Molecular Formula	C13H26O6
Molecular Weight	278.34
XLogP	-0.1
Topological Polar Surface Area	74.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	13
Heavy Atom Count	19
Formal Charge	0
Complexity	224

SMILES

CC(C)(C)OC(=O)CCOCCOCCOCCO

InChI

InChI=1S/C13H26O6/c1-13(2,3)19-12(15)4-6-16-8-10-18-11-9-17-7-5-14/h14H,4-11H2,1-3H3

InChIKey

KSXVEOLRERRELV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 186020-66-6

CID: 3625858

Formula: C13H26O6

MW: 278.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	278.34
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	13
Exact Mass	278.17293854
Monoisotopic Mass	278.17293854
Topological Polar Surface Area	74.2 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	224
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS3615328-01	Hycanthone
HY-B1099R-01	Hycanthone (Standard)