Ohira-Bestmann Reagent Solution

CAT: 0862-GW2761-50mlSize: 50 mLDry Ice: NoHazardous: No

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CAT#:0862-GW2761-50mlSize:50 mL

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

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CAS Number

90965-06-3

Storage Conditions

-20°C

Hazardous Class

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Chemical Information

Dimethyl (1-diazo-2-oxopropyl)phosphonate

CAS Number	90965-06-3
PubChem CID	53397103
IUPAC Name	1-[dimethoxy(oxido)-lambda5-phosphanylidene]-2-oxopropane-1-diazonium
Molecular Formula	C5H9N2O4P
Molecular Weight	192.11
XLogP	-0.5
Topological Polar Surface Area	86.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	281

SMILES

CC(=O)C(=P([O-])(OC)OC)[N+]#N

InChI

InChI=1S/C5H9N2O4P/c1-4(8)5(7-6)12(9,10-2)11-3/h1-3H3

InChIKey

SQHSJJGGWYIFCD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 90965-06-3

CID: 53397103

Formula: C5H9N2O4P

MW: 192.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.11
XLogP3	-0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	192.02999377
Monoisotopic Mass	192.02999377
Topological Polar Surface Area	86.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	281
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

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