CAS 111851-98-0 | 1H-Imidazole-2-carboxaldehyde,1-ethyl-(9CI) | CAS Number 111851-98-0

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111851-98-0 | 1H-Imidazole-2-carboxaldehyde,1-ethyl-(9CI)

CAS No: 111851-98-0 Catalog No: AG008Z1J MDL No:MFCD07380875

Product Description

Catalog Number:

AG008Z1J

Chemical Name:

1H-Imidazole-2-carboxaldehyde,1-ethyl-(9CI)

CAS Number:

111851-98-0

Molecular Formula:

C6H8N2O

Molecular Weight:

124.1405

MDL Number:

MFCD07380875

IUPAC Name:

1-ethylimidazole-2-carbaldehyde

InChI:

InChI=1S/C6H8N2O/c1-2-8-4-3-7-6(8)5-9/h3-5H,2H2,1H3

InChI Key:

JINZWCUGPDJTNB-UHFFFAOYSA-N

SMILES:

O=Cc1nccn1CC

Properties

Complexity:

105

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

124.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

124.143g/mol

Monoisotopic Mass:

124.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1

Literature

Title	Journal
Tetra-chlorido(4,4'-dimethyl-2,2'-bipyridine-κN,N')platinum(IV).	Acta crystallographica. Section E, Structure reports online 20080701
Tetra-chlorido(2,3-di-2-pyridylpyrazine-κN,N)platinum(IV).	Acta crystallographica. Section E, Structure reports online 20080401