AG28396
4491-33-2 | Ethyl quinoline-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG28396
ChemicalName
Ethyl quinoline-2-carboxylate
CasNumber
4491-33-2
MolecularFormula
C12H11NO2
MolecularWeight
201.2212
MdlNumber
MFCD02149441
Smiles
CCOC(=O)c1ccc2c(n1)cccc2
Complexity
230
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.3
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CatalogNumber: AG28396
ChemicalName: Ethyl quinoline-2-carboxylate
CasNumber: 4491-33-2
MolecularFormula: C12H11NO2
MolecularWeight: 201.2212
MdlNumber: MFCD02149441
Smiles: CCOC(=O)c1ccc2c(n1)cccc2
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AG28396
ChemicalName:
Ethyl quinoline-2-carboxylate
CasNumber:
4491-33-2
MolecularFormula:
C12H11NO2
MolecularWeight:
201.2212
MdlNumber:
MFCD02149441
Smiles:
CCOC(=O)c1ccc2c(n1)cccc2
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.3
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Smiles: C1=CC(=C(C=C1NC(=O)CCC(C(=O)O)N)C(=O)O)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
C1=CC(=C(C=C1NC(=O)CCC(C(=O)O)N)C(=O)O)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
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__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
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__
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: SCCNC(=O)CCNC(=O)[C@@H](C(CO)(C)C)O
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HeavyAtomCount: __
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Smiles:
SCCNC(=O)CCNC(=O)[C@@H](C(CO)(C)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__