AB20315
21080-81-9 | Ethyl 5-cyclopropylisoxazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB20315
ChemicalName
Ethyl 5-cyclopropylisoxazole-3-carboxylate
CasNumber
21080-81-9
MolecularFormula
C9H11NO3
MolecularWeight
181.1885
MdlNumber
MFCD11217157
Smiles
CCOC(=O)c1noc(c1)C1CC1
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
1.5
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CatalogNumber: AB20315
ChemicalName: Ethyl 5-cyclopropylisoxazole-3-carboxylate
CasNumber: 21080-81-9
MolecularFormula: C9H11NO3
MolecularWeight: 181.1885
MdlNumber: MFCD11217157
Smiles: CCOC(=O)c1noc(c1)C1CC1
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 1.5
CatalogNumber:
AB20315
ChemicalName:
Ethyl 5-cyclopropylisoxazole-3-carboxylate
CasNumber:
21080-81-9
MolecularFormula:
C9H11NO3
MolecularWeight:
181.1885
MdlNumber:
MFCD11217157
Smiles:
CCOC(=O)c1noc(c1)C1CC1
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
1.5
CatalogNumber: AB20316
ChemicalName: Ethyl 4-cyclopropyl-2,4-dioxobutanoate
CasNumber: 21080-80-8
MolecularFormula: C9H12O4
MolecularWeight: 184.1892
MdlNumber: MFCD09052462
Smiles: CCOC(=O)C(=O)CC(=O)C1CC1
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: 0.7
CatalogNumber:
AB20316
ChemicalName:
Ethyl 4-cyclopropyl-2,4-dioxobutanoate
CasNumber:
21080-80-8
MolecularFormula:
C9H12O4
MolecularWeight:
184.1892
MdlNumber:
MFCD09052462
Smiles:
CCOC(=O)C(=O)CC(=O)C1CC1
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
0.7
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Smiles: OC(=O)[C@H]1O[C@@H](Oc2ccc(cc2)N)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: __
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Smiles:
OC(=O)[C@H]1O[C@@H](Oc2ccc(cc2)N)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
__
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Smiles: COC1c2c(-c3c(N1C)c1cc4OCOc4cc1cc3)ccc(c2OC)OC
Complexity: __
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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:
COC1c2c(-c3c(N1C)c1cc4OCOc4cc1cc3)ccc(c2OC)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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