AB73552
36983-31-0 | Ethyl 2,4-dioxoheptanoate
Manufacturer: A2B Chem
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CatalogNumber
AB73552
ChemicalName
Ethyl 2,4-dioxoheptanoate
CasNumber
36983-31-0
MolecularFormula
C9H14O4
MolecularWeight
186.2051
MdlNumber
MFCD08700411
Smiles
CCCC(=O)CC(=O)C(=O)OCC
Complexity
208
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
7
Xlogp3
1
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CatalogNumber: AB73552
ChemicalName: Ethyl 2,4-dioxoheptanoate
CasNumber: 36983-31-0
MolecularFormula: C9H14O4
MolecularWeight: 186.2051
MdlNumber: MFCD08700411
Smiles: CCCC(=O)CC(=O)C(=O)OCC
Complexity: 208
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 7
Xlogp3: 1
CatalogNumber:
AB73552
ChemicalName:
Ethyl 2,4-dioxoheptanoate
CasNumber:
36983-31-0
MolecularFormula:
C9H14O4
MolecularWeight:
186.2051
MdlNumber:
MFCD08700411
Smiles:
CCCC(=O)CC(=O)C(=O)OCC
Complexity:
208
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
7
Xlogp3:
1
CatalogNumber: AB73553
ChemicalName: Ethyl 2,4-dioxopentanoate
CasNumber: 615-79-2
MolecularFormula: C7H10O4
MolecularWeight: 158.1519
MdlNumber: MFCD00009124
Smiles: CCOC(=O)C(=O)CC(=O)C
Complexity: 183
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 0.2
CatalogNumber:
AB73553
ChemicalName:
Ethyl 2,4-dioxopentanoate
CasNumber:
615-79-2
MolecularFormula:
C7H10O4
MolecularWeight:
158.1519
MdlNumber:
MFCD00009124
Smiles:
CCOC(=O)C(=O)CC(=O)C
Complexity:
183
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
0.2
CatalogNumber: AB73554
ChemicalName: Ethyl 2,5-dichlorobenzoate
CasNumber: 35112-27-7
MolecularFormula: C9H8Cl2O2
MolecularWeight: 219.0646
MdlNumber: MFCD00013636
Smiles: CCOC(=O)c1cc(Cl)ccc1Cl
Complexity: 185
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 3.5
CatalogNumber:
AB73554
ChemicalName:
Ethyl 2,5-dichlorobenzoate
CasNumber:
35112-27-7
MolecularFormula:
C9H8Cl2O2
MolecularWeight:
219.0646
MdlNumber:
MFCD00013636
Smiles:
CCOC(=O)c1cc(Cl)ccc1Cl
Complexity:
185
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
3.5
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Smiles: CCOC(=O)c1cc(O)ccc1O
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Smiles:
CCOC(=O)c1cc(O)ccc1O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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