AG22638
5408-04-8 | Ethyl-2-(hydroxyimino)-3-oxobutanoate
Manufacturer: A2B Chem
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CatalogNumber
AG22638
ChemicalName
Ethyl-2-(hydroxyimino)-3-oxobutanoate
CasNumber
5408-04-8
MolecularFormula
C6H9NO4
MolecularWeight
159.14
MdlNumber
MFCD00039517
Smiles
CCOC(=O)/C(=N\O)/C(=O)C
NscNumber
10758
Complexity
197
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.9
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CatalogNumber: AG22638
ChemicalName: Ethyl-2-(hydroxyimino)-3-oxobutanoate
CasNumber: 5408-04-8
MolecularFormula: C6H9NO4
MolecularWeight: 159.14
MdlNumber: MFCD00039517
Smiles: CCOC(=O)/C(=N\O)/C(=O)C
NscNumber: 10758
Complexity: 197
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.9
CatalogNumber:
AG22638
ChemicalName:
Ethyl-2-(hydroxyimino)-3-oxobutanoate
CasNumber:
5408-04-8
MolecularFormula:
C6H9NO4
MolecularWeight:
159.14
MdlNumber:
MFCD00039517
Smiles:
CCOC(=O)/C(=N\O)/C(=O)C
NscNumber:
10758
Complexity:
197
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.9
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Smiles: CNCc1c(C)nn(c1C)C
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Complexity: __
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RotatableBondCount: __
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Smiles:
CNCc1c(C)nn(c1C)C
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Smiles: CSc1nc(O)n2c(n1)c(Br)cn2
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MolecularFormula:
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Smiles:
CSc1nc(O)n2c(n1)c(Br)cn2
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Complexity:
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Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=Cc1sc(nc1C)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1sc(nc1C)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__