CAS 13750-81-7 | 1H-Imidazole-2-carboxaldehyde, 1-methyl- | CAS Number 13750-81-7

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13750-81-7 | 1H-Imidazole-2-carboxaldehyde, 1-methyl-

CAS No: 13750-81-7 Catalog No: AG0013EM MDL No:MFCD01321308

Product Description

Catalog Number:

AG0013EM

Chemical Name:

1H-Imidazole-2-carboxaldehyde, 1-methyl-

CAS Number:

13750-81-7

Molecular Formula:

C5H6N2O

Molecular Weight:

110.1139

MDL Number:

MFCD01321308

IUPAC Name:

1-methylimidazole-2-carbaldehyde

InChI:

InChI=1S/C5H6N2O/c1-7-3-2-6-5(7)4-8/h2-4H,1H3

InChI Key:

UEBFLTZXUXZPJO-UHFFFAOYSA-N

SMILES:

O=Cc1nccn1C

Properties

Complexity:

94.4

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

110.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

110.116g/mol

Monoisotopic Mass:

110.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2

Literature

Title	Journal
P(PhCH2NCH2CH2)3N catalysis of Mukaiyama aldol reactions of aliphatic, aromatic, and heterocyclic aldehydes and trifluoromethyl phenyl ketone.	The Journal of organic chemistry 20091106
Design and synthesis of C-2 substituted chiral imidazolium ionic liquids from amino acid derivatives.	The Journal of organic chemistry 20051209
Synthesis and characterization of seven-coordinate tripodal imidazole complexes of iron(II) and manganese(II).	Dalton transactions (Cambridge, England : 2003) 20051121