AB73926
64195-85-3 | Ethyl 5-methyl-2,4-dioxohexanoate
Manufacturer: A2B Chem
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CatalogNumber
AB73926
ChemicalName
Ethyl 5-methyl-2,4-dioxohexanoate
CasNumber
64195-85-3
MolecularFormula
C9H14O4
MolecularWeight
186.2051
MdlNumber
MFCD07323638
Smiles
CCOC(=O)C(=O)CC(=O)C(C)C
Complexity
218
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
6
Xlogp3
1.3
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CatalogNumber: AB73926
ChemicalName: Ethyl 5-methyl-2,4-dioxohexanoate
CasNumber: 64195-85-3
MolecularFormula: C9H14O4
MolecularWeight: 186.2051
MdlNumber: MFCD07323638
Smiles: CCOC(=O)C(=O)CC(=O)C(C)C
Complexity: 218
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: 1.3
CatalogNumber:
AB73926
ChemicalName:
Ethyl 5-methyl-2,4-dioxohexanoate
CasNumber:
64195-85-3
MolecularFormula:
C9H14O4
MolecularWeight:
186.2051
MdlNumber:
MFCD07323638
Smiles:
CCOC(=O)C(=O)CC(=O)C(C)C
Complexity:
218
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
1.3
CatalogNumber: AB73927
ChemicalName: Ethyl 5-methylisoxazole-4-carboxylate
CasNumber: 51135-73-0
MolecularFormula: C7H9NO3
MolecularWeight: 155.1513
MdlNumber: MFCD01631119
Smiles: CCOC(=O)c1cnoc1C
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 1
CatalogNumber:
AB73927
ChemicalName:
Ethyl 5-methylisoxazole-4-carboxylate
CasNumber:
51135-73-0
MolecularFormula:
C7H9NO3
MolecularWeight:
155.1513
MdlNumber:
MFCD01631119
Smiles:
CCOC(=O)c1cnoc1C
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccc(o1)C(=O)OCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccc(o1)C(=O)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB73929
ChemicalName: Ethyl 5-phenylisoxazole-3-carboxylate
CasNumber: 7063-99-2
MolecularFormula: C12H11NO3
MolecularWeight: 217.2206
MdlNumber: MFCD01596796
Smiles: CCOC(=O)c1noc(c1)c1ccccc1
Complexity: 238
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 3.1
CatalogNumber:
AB73929
ChemicalName:
Ethyl 5-phenylisoxazole-3-carboxylate
CasNumber:
7063-99-2
MolecularFormula:
C12H11NO3
MolecularWeight:
217.2206
MdlNumber:
MFCD01596796
Smiles:
CCOC(=O)c1noc(c1)c1ccccc1
Complexity:
238
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
3.1