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AE98230

17289-26-8 | 1-Methyl-1H-imidazole-4-carboxaldehyde

Manufacturer: A2B Chem

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CatalogNumber

AE98230

ChemicalName

1-Methyl-1H-imidazole-4-carboxaldehyde

CasNumber

17289-26-8

MolecularFormula

C5H6N2O

MolecularWeight

110.11394

MdlNumber

MFCD03411957

Smiles

Cn1cc(nc1)C=O

Complexity

94.4

Covalently-bondedUnitCount

1

HeavyAtomCount

8

HydrogenBondAcceptorCount

2

RotatableBondCount

1

Xlogp3

-0.2

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A2B Chem

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CatalogNumber:

AE98230

ChemicalName:

1-Methyl-1H-imidazole-4-carboxaldehyde

CasNumber:

17289-26-8

MolecularFormula:

C5H6N2O

MolecularWeight:

110.11394

MdlNumber:

MFCD03411957

Smiles:

Cn1cc(nc1)C=O

Complexity:

94.4

Covalently-bondedUnitCount:

1

HeavyAtomCount:

8

HydrogenBondAcceptorCount:

2

RotatableBondCount:

1

Xlogp3:

-0.2

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

CCCS(=O)c1ccc2c(c1)nc([nH]2)NC(=O)OC

Complexity:

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

RotatableBondCount:

Xlogp3:

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

C1=CC2=C(C(=C(C=C2C=C1NC(=O)NC3=CC4=CC(=C(C(=C4C=C3)O)N=NC5=C(C=CC(=C5)S(=O)(=O)[O-])O)S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC6=C(C=CC(=C6)S(=O)(=O)[O-])O)O.[Na+].[Na+].[Na+].[Na+]

Complexity:

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

RotatableBondCount:

Xlogp3:

A2B Chem

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CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

COc1cc(N=Nc2cc(cc3c2c(O)cc(c3)S(=O)(=O)[O-])S(=O)(=O)[O-])c(cc1NC(=O)Nc1cc(C)c(cc1OC)N=Nc1cc(cc2c1c(O)cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+].[Na+].[Na+]

Complexity:

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

RotatableBondCount:

Xlogp3: