AI14330
1218764-87-4 | 1,2-Dimethyl-1H-imidazole-4,5-dicarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI14330
ChemicalName
1,2-Dimethyl-1H-imidazole-4,5-dicarboxylic acid
CasNumber
1218764-87-4
MolecularFormula
C7H8N2O4
MolecularWeight
184.14942
MdlNumber
MFCD16877671
Smiles
OC(=O)c1c(nc(n1C)C)C(=O)O
Complexity
243
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
0.1
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CatalogNumber: AI14330
ChemicalName: 1,2-Dimethyl-1H-imidazole-4,5-dicarboxylic acid
CasNumber: 1218764-87-4
MolecularFormula: C7H8N2O4
MolecularWeight: 184.14942
MdlNumber: MFCD16877671
Smiles: OC(=O)c1c(nc(n1C)C)C(=O)O
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.1
CatalogNumber:
AI14330
ChemicalName:
1,2-Dimethyl-1H-imidazole-4,5-dicarboxylic acid
CasNumber:
1218764-87-4
MolecularFormula:
C7H8N2O4
MolecularWeight:
184.14942
MdlNumber:
MFCD16877671
Smiles:
OC(=O)c1c(nc(n1C)C)C(=O)O
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCOC(=O)Cc1c2CC[C@H](Cn2c2c1cccc2)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCOC(=O)Cc1c2CC[C@H](Cn2c2c1cccc2)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI14333
ChemicalName: Methyl 2-(4-bromophenyl)-2-cyanoacetate
CasNumber: 1218950-96-9
MolecularFormula: C10H8BrNO2
MolecularWeight: 254.08
MdlNumber: MFCD19329148
Smiles: COC(=O)C(c1ccc(cc1)Br)C#N
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AI14333
ChemicalName:
Methyl 2-(4-bromophenyl)-2-cyanoacetate
CasNumber:
1218950-96-9
MolecularFormula:
C10H8BrNO2
MolecularWeight:
254.08
MdlNumber:
MFCD19329148
Smiles:
COC(=O)C(c1ccc(cc1)Br)C#N
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.4