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AD47690

35034-22-1 | 2-Methyl-1H-imidazole-4-carbaldehyde

Manufacturer: A2B Chem

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CatalogNumber

AD47690

ChemicalName

2-Methyl-1H-imidazole-4-carbaldehyde

CasNumber

35034-22-1

MolecularFormula

C5H6N2O

MolecularWeight

110.1139

MdlNumber

MFCD00173725

Smiles

Cc1ncc([nH]1)C=O

Complexity

94.4

Covalently-bondedUnitCount

1

HeavyAtomCount

8

HydrogenBondAcceptorCount

2

HydrogenBondDonorCount

1

RotatableBondCount

1

Xlogp3

0.3

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A2B Chem

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CatalogNumber:

AD47690

ChemicalName:

2-Methyl-1H-imidazole-4-carbaldehyde

CasNumber:

35034-22-1

MolecularFormula:

C5H6N2O

MolecularWeight:

110.1139

MdlNumber:

MFCD00173725

Smiles:

Cc1ncc([nH]1)C=O

Complexity:

94.4

Covalently-bondedUnitCount:

1

HeavyAtomCount:

8

HydrogenBondAcceptorCount:

2

HydrogenBondDonorCount:

1

RotatableBondCount:

1

Xlogp3:

0.3

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

CC(=O)OCC1O[C@@H](Oc2ccc(cc2Cl)[N+](=O)[O-])[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C

Complexity:

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

__

A2B Chem

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CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

N[C@H]1COC(O[C@H]1c1ccccc1)(C)C

Complexity:

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

__

A2B Chem

--

CatalogNumber:

ChemicalName:

CasNumber:

MolecularFormula:

MolecularWeight:

MdlNumber:

Smiles:

OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-].OCC(F)(F)F

Complexity:

Covalently-bondedUnitCount:

HeavyAtomCount:

HydrogenBondAcceptorCount:

HydrogenBondDonorCount:

RotatableBondCount:

Xlogp3:

__