AF84020
40253-47-2 | Ethyl 5-methyl-1h-1,2,4-triazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF84020
ChemicalName
Ethyl 5-methyl-1h-1,2,4-triazole-3-carboxylate
CasNumber
40253-47-2
MolecularFormula
C6H9N3O2
MolecularWeight
155.1546
MdlNumber
MFCD18338213
Smiles
CCOC(=O)c1n[nH]c(n1)C
Complexity
151
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.9
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CatalogNumber: AF84020
ChemicalName: Ethyl 5-methyl-1h-1,2,4-triazole-3-carboxylate
CasNumber: 40253-47-2
MolecularFormula: C6H9N3O2
MolecularWeight: 155.1546
MdlNumber: MFCD18338213
Smiles: CCOC(=O)c1n[nH]c(n1)C
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.9
CatalogNumber:
AF84020
ChemicalName:
Ethyl 5-methyl-1h-1,2,4-triazole-3-carboxylate
CasNumber:
40253-47-2
MolecularFormula:
C6H9N3O2
MolecularWeight:
155.1546
MdlNumber:
MFCD18338213
Smiles:
CCOC(=O)c1n[nH]c(n1)C
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cc2c([nH]1)c(F)ccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cc2c([nH]1)c(F)ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF84022
ChemicalName: Methyl 1-methyl-4-oxocyclohexanecarboxylate
CasNumber: 37480-41-4
MolecularFormula: C9H14O3
MolecularWeight: 170.2057
MdlNumber: MFCD17013063
Smiles: COC(=O)C1(C)CCC(=O)CC1
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 0.6
CatalogNumber:
AF84022
ChemicalName:
Methyl 1-methyl-4-oxocyclohexanecarboxylate
CasNumber:
37480-41-4
MolecularFormula:
C9H14O3
MolecularWeight:
170.2057
MdlNumber:
MFCD17013063
Smiles:
COC(=O)C1(C)CCC(=O)CC1
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1c(C)nc(nc1Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1c(C)nc(nc1Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__