AB19053
20901-53-5 | Methyl 2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB19053
ChemicalName
Methyl 2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate
CasNumber
20901-53-5
MolecularFormula
C5H6N2O3
MolecularWeight
142.1127
MdlNumber
MFCD19217049
Smiles
COC(=O)c1c[nH]c(=O)[nH]1
Complexity
209
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-0.8
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CatalogNumber: AB19053
ChemicalName: Methyl 2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate
CasNumber: 20901-53-5
MolecularFormula: C5H6N2O3
MolecularWeight: 142.1127
MdlNumber: MFCD19217049
Smiles: COC(=O)c1c[nH]c(=O)[nH]1
Complexity: 209
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.8
CatalogNumber:
AB19053
ChemicalName:
Methyl 2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate
CasNumber:
20901-53-5
MolecularFormula:
C5H6N2O3
MolecularWeight:
142.1127
MdlNumber:
MFCD19217049
Smiles:
COC(=O)c1c[nH]c(=O)[nH]1
Complexity:
209
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCOc1cccc2c1cccc2
Complexity: 178
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCOc1cccc2c1cccc2
Complexity:
178
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1OC(c2c1cccc2)(c1ccc(cc1)OP(=O)(O)O)c1ccc(cc1)OP(=O)(O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1OC(c2c1cccc2)(c1ccc(cc1)OP(=O)(O)O)c1ccc(cc1)OP(=O)(O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)O.[O-]C(=O)O.[Mg+2]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)O.[O-]C(=O)O.[Mg+2]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__