AI63901
95104-44-2 | 5-(Hydroxymethyl)-3-phenyl-4-isoxazolecarboxylic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI63901
ChemicalName
5-(Hydroxymethyl)-3-phenyl-4-isoxazolecarboxylic acid ethyl ester
CasNumber
95104-44-2
MolecularFormula
C13H13NO4
MolecularWeight
247.2466
MdlNumber
MFCD22123831
Smiles
CCOC(=O)c1c(CO)onc1c1ccccc1
Complexity
278
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
1.4
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CatalogNumber: AI63901
ChemicalName: 5-(Hydroxymethyl)-3-phenyl-4-isoxazolecarboxylic acid ethyl ester
CasNumber: 95104-44-2
MolecularFormula: C13H13NO4
MolecularWeight: 247.2466
MdlNumber: MFCD22123831
Smiles: CCOC(=O)c1c(CO)onc1c1ccccc1
Complexity: 278
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.4
CatalogNumber:
AI63901
ChemicalName:
5-(Hydroxymethyl)-3-phenyl-4-isoxazolecarboxylic acid ethyl ester
CasNumber:
95104-44-2
MolecularFormula:
C13H13NO4
MolecularWeight:
247.2466
MdlNumber:
MFCD22123831
Smiles:
CCOC(=O)c1c(CO)onc1c1ccccc1
Complexity:
278
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1c(noc1C(O)C)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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:
CCOC(=O)c1c(noc1C(O)C)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: C1CCC(CC1)NC1CCCCC1.COC[C@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
C1CCC(CC1)NC1CCCCC1.COC[C@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: Oc1ccc(c(c1)C(=O)N)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
Oc1ccc(c(c1)C(=O)N)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__