AI56319
778531-36-5 | Ethyl (2Z)-2-hydroxy-4-oxo-4-(pyridin-3-yl)but-2-enoate
Manufacturer: A2B Chem
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CatalogNumber
AI56319
ChemicalName
Ethyl (2Z)-2-hydroxy-4-oxo-4-(pyridin-3-yl)but-2-enoate
CasNumber
778531-36-5
MolecularFormula
C11H11NO4
MolecularWeight
221.2093
MdlNumber
MFCD26684187
Smiles
CCOC(=O)/C(=C/C(=O)c1cccnc1)/O
Complexity
298
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedBondStereocenterCount
1
Xlogp3
1.4
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CatalogNumber: AI56319
ChemicalName: Ethyl (2Z)-2-hydroxy-4-oxo-4-(pyridin-3-yl)but-2-enoate
CasNumber: 778531-36-5
MolecularFormula: C11H11NO4
MolecularWeight: 221.2093
MdlNumber: MFCD26684187
Smiles: CCOC(=O)/C(=C/C(=O)c1cccnc1)/O
Complexity: 298
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedBondStereocenterCount: 1
Xlogp3: 1.4
CatalogNumber:
AI56319
ChemicalName:
Ethyl (2Z)-2-hydroxy-4-oxo-4-(pyridin-3-yl)but-2-enoate
CasNumber:
778531-36-5
MolecularFormula:
C11H11NO4
MolecularWeight:
221.2093
MdlNumber:
MFCD26684187
Smiles:
CCOC(=O)/C(=C/C(=O)c1cccnc1)/O
Complexity:
298
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedBondStereocenterCount:
1
Xlogp3:
1.4
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Smiles: CO[Si](CNc1ccccc1)(OC)OC
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Smiles:
CO[Si](CNc1ccccc1)(OC)OC
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Smiles: OC[C@@H]([C@H](C(=O)[O-])O)O.OC[C@@H]([C@H](C(=O)[O-])O)O.[Mg+2]
Complexity: __
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Smiles:
OC[C@@H]([C@H](C(=O)[O-])O)O.OC[C@@H]([C@H](C(=O)[O-])O)O.[Mg+2]
Complexity:
__
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Smiles: Oc1cccc(c1)C(=O)N(C1CCCCC1)C
Complexity: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Oc1cccc(c1)C(=O)N(C1CCCCC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__