AE13373
104776-70-7 | Ethyl 5-acetylisoxazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE13373
ChemicalName
Ethyl 5-acetylisoxazole-3-carboxylate
CasNumber
104776-70-7
MolecularFormula
C8H9NO4
MolecularWeight
183.1614
MdlNumber
MFCD00085046
Smiles
CCOC(=O)c1noc(c1)C(=O)C
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
RotatableBondCount
4
Xlogp3
0.9
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CatalogNumber: AE13373
ChemicalName: Ethyl 5-acetylisoxazole-3-carboxylate
CasNumber: 104776-70-7
MolecularFormula: C8H9NO4
MolecularWeight: 183.1614
MdlNumber: MFCD00085046
Smiles: CCOC(=O)c1noc(c1)C(=O)C
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 0.9
CatalogNumber:
AE13373
ChemicalName:
Ethyl 5-acetylisoxazole-3-carboxylate
CasNumber:
104776-70-7
MolecularFormula:
C8H9NO4
MolecularWeight:
183.1614
MdlNumber:
MFCD00085046
Smiles:
CCOC(=O)c1noc(c1)C(=O)C
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CC(C)(C)[P+]1(CC2=C(C3=CC=CC=C3C=C2C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=C(C1)C(=CC6=CC=CC=C65)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F)C(C)(C)C.[Br-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
CC(C)(C)[P+]1(CC2=C(C3=CC=CC=C3C=C2C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=C(C1)C(=CC6=CC=CC=C65)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F)C(C)(C)C.[Br-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: O=Cc1ccn(c1)C1CCCC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=Cc1ccn(c1)C1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: NNc1ccncc1C.Cl
Complexity: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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:
NNc1ccncc1C.Cl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__