AB58582
19485-38-2 | 4,5-Dicarboxy-1-methyl-1H-imidazole
Manufacturer: A2B Chem
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CatalogNumber
AB58582
ChemicalName
4,5-Dicarboxy-1-methyl-1H-imidazole
CasNumber
19485-38-2
MolecularFormula
C6H6N2O4
MolecularWeight
170.1228
MdlNumber
MFCD01552045
Smiles
OC(=O)c1n(C)cnc1C(=O)O
Complexity
218
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-0.3
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CatalogNumber: AB58582
ChemicalName: 4,5-Dicarboxy-1-methyl-1H-imidazole
CasNumber: 19485-38-2
MolecularFormula: C6H6N2O4
MolecularWeight: 170.1228
MdlNumber: MFCD01552045
Smiles: OC(=O)c1n(C)cnc1C(=O)O
Complexity: 218
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.3
CatalogNumber:
AB58582
ChemicalName:
4,5-Dicarboxy-1-methyl-1H-imidazole
CasNumber:
19485-38-2
MolecularFormula:
C6H6N2O4
MolecularWeight:
170.1228
MdlNumber:
MFCD01552045
Smiles:
OC(=O)c1n(C)cnc1C(=O)O
Complexity:
218
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cn1cc(nc1)C(=O)O
Complexity: 126
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cn1cc(nc1)C(=O)O
Complexity:
126
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1nn(c2c1cccc2)C
Complexity: 220
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1nn(c2c1cccc2)C
Complexity:
220
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cn1ccc2c1cccc2
Complexity: 122
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cn1ccc2c1cccc2
Complexity:
122
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7