Iperoxo

CAT: 0127-BUP07828-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP07828-01Size:5 mg

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

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CAS Number

247079-84-1

Synonyms

Iperoxo iodide

Purity

=98%

Smiles

[I-].C[N+](C)(C)CC#CCOC1=NOCC1

Chemical Information

4-((4,5-Dihydroisoxazol-3-yl)oxy)-N,N,N-trimethylbut-2-yn-1-aminium iodide

CAS Number	247079-84-1
PubChem CID	46854806
IUPAC Name	4-(4,5-dihydro-1,2-oxazol-3-yloxy)but-2-ynyl-trimethylazanium iodide
Molecular Formula	C10H17IN2O2
Molecular Weight	324.16
Topological Polar Surface Area	30.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	277

SMILES

C[N+](C)(C)CC#CCOC1=NOCC1.[I-]

InChI

InChI=1S/C10H17N2O2.HI/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10;/h6-9H2,1-3H3;1H/q+1;/p-1

InChIKey

XWEOIAMCTHLJJB-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 247079-84-1

CID: 46854806

Formula: C10H17IN2O2

MW: 324.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	324.16
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	324.03348
Monoisotopic Mass	324.03348
Topological Polar Surface Area	30.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	277
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	2
Compound Is Canonicalized	Yes

Catalog	Name
HY-122743-01	Iperoxo