AB46524
17325-26-7 | Methyl 3H-imidazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB46524
ChemicalName
Methyl 3H-imidazole-4-carboxylate
CasNumber
17325-26-7
MolecularFormula
C5H6N2O2
MolecularWeight
126.1133
MdlNumber
MFCD00216584
Smiles
COC(=O)c1c[nH]cn1
Complexity
116
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.2
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CatalogNumber: AB46524
ChemicalName: Methyl 3H-imidazole-4-carboxylate
CasNumber: 17325-26-7
MolecularFormula: C5H6N2O2
MolecularWeight: 126.1133
MdlNumber: MFCD00216584
Smiles: COC(=O)c1c[nH]cn1
Complexity: 116
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.2
CatalogNumber:
AB46524
ChemicalName:
Methyl 3H-imidazole-4-carboxylate
CasNumber:
17325-26-7
MolecularFormula:
C5H6N2O2
MolecularWeight:
126.1133
MdlNumber:
MFCD00216584
Smiles:
COC(=O)c1c[nH]cn1
Complexity:
116
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CCN1CCOCC1
Complexity: 143
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CCN1CCOCC1
Complexity:
143
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.3
CatalogNumber: AB46527
ChemicalName: Methyl 4-oxotetrahydrofuran-3-carboxylate
CasNumber: 57595-23-0
MolecularFormula: C6H8O4
MolecularWeight: 144.1253
MdlNumber: MFCD19707049
Smiles: COC(=O)C1COCC1=O
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: -0.2
CatalogNumber:
AB46527
ChemicalName:
Methyl 4-oxotetrahydrofuran-3-carboxylate
CasNumber:
57595-23-0
MolecularFormula:
C6H8O4
MolecularWeight:
144.1253
MdlNumber:
MFCD19707049
Smiles:
COC(=O)C1COCC1=O
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
-0.2