AI30564
133827-50-6 | Ethyl 5-hydroxy-3-methylisoxazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI30564
ChemicalName
Ethyl 5-hydroxy-3-methylisoxazole-4-carboxylate
CasNumber
133827-50-6
MolecularFormula
C7H9NO4
MolecularWeight
171.1507
MdlNumber
MFCD24394828
Smiles
CCOC(=O)c1c(O)onc1C
NscNumber
151718
Complexity
256
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.1
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CatalogNumber: AI30564
ChemicalName: Ethyl 5-hydroxy-3-methylisoxazole-4-carboxylate
CasNumber: 133827-50-6
MolecularFormula: C7H9NO4
MolecularWeight: 171.1507
MdlNumber: MFCD24394828
Smiles: CCOC(=O)c1c(O)onc1C
NscNumber: 151718
Complexity: 256
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AI30564
ChemicalName:
Ethyl 5-hydroxy-3-methylisoxazole-4-carboxylate
CasNumber:
133827-50-6
MolecularFormula:
C7H9NO4
MolecularWeight:
171.1507
MdlNumber:
MFCD24394828
Smiles:
CCOC(=O)c1c(O)onc1C
NscNumber:
151718
Complexity:
256
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cc(ccc1B1OC(C(O1)(C)C)(C)C)CS(=O)(=O)C
NscNumber: __
Complexity: 470
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
Clc1cc(ccc1B1OC(C(O1)(C)C)(C)C)CS(=O)(=O)C
NscNumber:
__
Complexity:
470
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: Fc1ccc2c(c1)n(c1ccccc1)c(n2)[C@@H](N)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
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Xlogp3: __
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MolecularWeight:
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Smiles:
Fc1ccc2c(c1)n(c1ccccc1)c(n2)[C@@H](N)C
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1c(N)cccc1S(=O)(=O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1c(N)cccc1S(=O)(=O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__