RK 29

CAT: 0931-T34334-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T34334-01Size:25 mg

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

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CAS Number

93679-12-0

Target

Others

Related Pathways

Others

Bioactivity

RK 29 has hypoxic cell sensitizer properties.

Smiles

C(OCC#CCO)N1C(N(=O)=O)=NC=C1

Molecular Formula

C8H9N3O4

Molecular Weight

211.17

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

RK 29

structure given in first source

CAS Number	93679-12-0
PubChem CID	146774
IUPAC Name	4-[(2-nitroimidazol-1-yl)methoxy]but-2-yn-1-ol
Molecular Formula	C8H9N3O4
Molecular Weight	211.17
XLogP	-0.5
Topological Polar Surface Area	93.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	277

SMILES

C1=CN(C(=N1)[N+](=O)[O-])COCC#CCO

InChI

InChI=1S/C8H9N3O4/c12-5-1-2-6-15-7-10-4-3-9-8(10)11(13)14/h3-4,12H,5-7H2

InChIKey

OFASSPXTJKYRPT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 93679-12-0

CID: 146774

Formula: C8H9N3O4

MW: 211.17

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	211.17
XLogP3	-0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	211.05930578
Monoisotopic Mass	211.05930578
Topological Polar Surface Area	93.1 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	1
Compound Is Canonicalized	Yes

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RK 29

Chemical Information

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