AH20839
7251-53-8 | Ethyl 3-oxo-2,3-dihydro-1h-pyrazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AH20839
ChemicalName
Ethyl 3-oxo-2,3-dihydro-1h-pyrazole-4-carboxylate
CasNumber
7251-53-8
MolecularFormula
C6H8N2O3
MolecularWeight
156.1393
MdlNumber
MFCD16619878
Smiles
CCOC(=O)c1c[nH]nc1O
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
0.2
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CatalogNumber: AH20839
ChemicalName: Ethyl 3-oxo-2,3-dihydro-1h-pyrazole-4-carboxylate
CasNumber: 7251-53-8
MolecularFormula: C6H8N2O3
MolecularWeight: 156.1393
MdlNumber: MFCD16619878
Smiles: CCOC(=O)c1c[nH]nc1O
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.2
CatalogNumber:
AH20839
ChemicalName:
Ethyl 3-oxo-2,3-dihydro-1h-pyrazole-4-carboxylate
CasNumber:
7251-53-8
MolecularFormula:
C6H8N2O3
MolecularWeight:
156.1393
MdlNumber:
MFCD16619878
Smiles:
CCOC(=O)c1c[nH]nc1O
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: C1CC(C(C1)O)NCC2=CC=CC=C2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularWeight:
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Smiles:
C1CC(C(C1)O)NCC2=CC=CC=C2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=CC(C(C(COP(=O)(OP(=O)(OCC1OC(C(C1O)O)n1cnc2c1ncnc2N)O)O)O)O)O.[Na]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=CC(C(C(COP(=O)(OP(=O)(OCC1OC(C(C1O)O)n1cnc2c1ncnc2N)O)O)O)O)O.[Na]
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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Smiles: Oc1ccc(cc1)OC(=O)c1ccc(cc1)Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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MolecularFormula:
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Smiles:
Oc1ccc(cc1)OC(=O)c1ccc(cc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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