AB47471
103626-03-5 | Ethyl 1-methyl-3-oxo-2,3-dihydro-1h-pyrazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB47471
ChemicalName
Ethyl 1-methyl-3-oxo-2,3-dihydro-1h-pyrazole-4-carboxylate
CasNumber
103626-03-5
MolecularFormula
C7H10N2O3
MolecularWeight
170.1659
MdlNumber
MFCD16620091
Smiles
CCOC(=O)c1cn([nH]c1=O)C
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.3
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CatalogNumber: AB47471
ChemicalName: Ethyl 1-methyl-3-oxo-2,3-dihydro-1h-pyrazole-4-carboxylate
CasNumber: 103626-03-5
MolecularFormula: C7H10N2O3
MolecularWeight: 170.1659
MdlNumber: MFCD16620091
Smiles: CCOC(=O)c1cn([nH]c1=O)C
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.3
CatalogNumber:
AB47471
ChemicalName:
Ethyl 1-methyl-3-oxo-2,3-dihydro-1h-pyrazole-4-carboxylate
CasNumber:
103626-03-5
MolecularFormula:
C7H10N2O3
MolecularWeight:
170.1659
MdlNumber:
MFCD16620091
Smiles:
CCOC(=O)c1cn([nH]c1=O)C
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1[nH]cc(c1)C
Complexity: 61.2
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1[nH]cc(c1)C
Complexity:
61.2
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(Oc1ccc2c(c1)NCC2)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(Oc1ccc2c(c1)NCC2)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].O.O.O.O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].O.O.O.O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__