AF36382
253196-37-1 | Ethyl 5-(n-boc)aminomethylisoxazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF36382
ChemicalName
Ethyl 5-(n-boc)aminomethylisoxazole-3-carboxylate
CasNumber
253196-37-1
MolecularFormula
C12H18N2O5
MolecularWeight
270.2817
MdlNumber
MFCD08274848
Smiles
CCOC(=O)c1noc(c1)CNC(=O)OC(C)(C)C
Complexity
327
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
7
Xlogp3
1.5
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CatalogNumber: AF36382
ChemicalName: Ethyl 5-(n-boc)aminomethylisoxazole-3-carboxylate
CasNumber: 253196-37-1
MolecularFormula: C12H18N2O5
MolecularWeight: 270.2817
MdlNumber: MFCD08274848
Smiles: CCOC(=O)c1noc(c1)CNC(=O)OC(C)(C)C
Complexity: 327
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 1.5
CatalogNumber:
AF36382
ChemicalName:
Ethyl 5-(n-boc)aminomethylisoxazole-3-carboxylate
CasNumber:
253196-37-1
MolecularFormula:
C12H18N2O5
MolecularWeight:
270.2817
MdlNumber:
MFCD08274848
Smiles:
CCOC(=O)c1noc(c1)CNC(=O)OC(C)(C)C
Complexity:
327
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
1.5
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Smiles: O=C(OC(C)(C)C)NC1CNC1.CC(=O)O
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
O=C(OC(C)(C)C)NC1CNC1.CC(=O)O
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Smiles: c1ccc(cc1)c1ncc2c(n1)CCNC2.Cl
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Smiles:
c1ccc(cc1)c1ncc2c(n1)CCNC2.Cl
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Smiles: Clc1ccc2c(c1)c(=O)cc[nH]2
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
Clc1ccc2c(c1)c(=O)cc[nH]2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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