Imidazole sodium derivative

CAT: 0127-OR1029405-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1029405-01Size:100 mg

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CAS Number

5587-42-8

Synonyms

Sodium; imidazol-3-ide

Purity

98%

Smiles

C1=CN=C[N-]1.[Na+]

Chemical Information

Sodium imidazole

See also: Imidazole, sodium derivative (annotation moved to).

CAS Number	5587-42-8
PubChem CID	4605971
IUPAC Name	sodium imidazol-3-ide
Molecular Formula	C3H3N2Na
Molecular Weight	90.06
Topological Polar Surface Area	13.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	32

SMILES

C1=CN=C[N-]1.[Na+]

InChI

InChI=1S/C3H3N2.Na/c1-2-5-3-4-1;/h1-3H;/q-1;+1

InChIKey

ITAWMPSVROAMOE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5587-42-8

CID: 4605971

Formula: C3H3N2Na

MW: 90.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	90.06
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	90.01939239
Monoisotopic Mass	90.01939239
Topological Polar Surface Area	13.9 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	32
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

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