AI44991
21472-88-8 | Ethyl 5-hydroxy-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI44991
ChemicalName
Ethyl 5-hydroxy-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylate
CasNumber
21472-88-8
MolecularFormula
C8H11NO4
MolecularWeight
185.17724000000004
MdlNumber
MFCD05670080
Smiles
CCOC(=O)C1=C(O)C(=O)NCC1
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
0.4
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CatalogNumber: AI44991
ChemicalName: Ethyl 5-hydroxy-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylate
CasNumber: 21472-88-8
MolecularFormula: C8H11NO4
MolecularWeight: 185.17724000000004
MdlNumber: MFCD05670080
Smiles: CCOC(=O)C1=C(O)C(=O)NCC1
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.4
CatalogNumber:
AI44991
ChemicalName:
Ethyl 5-hydroxy-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylate
CasNumber:
21472-88-8
MolecularFormula:
C8H11NO4
MolecularWeight:
185.17724000000004
MdlNumber:
MFCD05670080
Smiles:
CCOC(=O)C1=C(O)C(=O)NCC1
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.4
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: [O-][N+](=O)CCc1ccc2c(c1)OCO2
Complexity: __
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Xlogp3: __
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Smiles:
[O-][N+](=O)CCc1ccc2c(c1)OCO2
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HydrogenBondAcceptorCount:
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Smiles: OC(=O)[C@@H]1CC2C(N1C(=O)OCC1c3ccccc3-c3c1cccc3)CCCC2
Complexity: __
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Smiles:
OC(=O)[C@@H]1CC2C(N1C(=O)OCC1c3ccccc3-c3c1cccc3)CCCC2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Clc1cccc(c1)Oc1ncccc1C(=O)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
Clc1cccc(c1)Oc1ncccc1C(=O)N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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