AA47377
13246-52-1 | Ethyl 2,4-dioxohexanoate
Manufacturer: A2B Chem
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CatalogNumber
AA47377
ChemicalName
Ethyl 2,4-dioxohexanoate
CasNumber
13246-52-1
MolecularFormula
C8H12O4
MolecularWeight
172.1785
MdlNumber
MFCD03265450
Smiles
CCOC(=O)C(=O)CC(=O)CC
Complexity
195
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
RotatableBondCount
6
Xlogp3
0.7
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CatalogNumber: AA47377
ChemicalName: Ethyl 2,4-dioxohexanoate
CasNumber: 13246-52-1
MolecularFormula: C8H12O4
MolecularWeight: 172.1785
MdlNumber: MFCD03265450
Smiles: CCOC(=O)C(=O)CC(=O)CC
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: 0.7
CatalogNumber:
AA47377
ChemicalName:
Ethyl 2,4-dioxohexanoate
CasNumber:
13246-52-1
MolecularFormula:
C8H12O4
MolecularWeight:
172.1785
MdlNumber:
MFCD03265450
Smiles:
CCOC(=O)C(=O)CC(=O)CC
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
0.7
CatalogNumber: AA47378
ChemicalName: 2,4-Bis(benzyloxy)benzaldehyde
CasNumber: 13246-46-3
MolecularFormula: C21H18O3
MolecularWeight: 318.3658
MdlNumber: MFCD00022024
Smiles: O=Cc1ccc(cc1OCc1ccccc1)OCc1ccccc1
Complexity: 358
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 3
RotatableBondCount: 7
Xlogp3: 4.3
CatalogNumber:
AA47378
ChemicalName:
2,4-Bis(benzyloxy)benzaldehyde
CasNumber:
13246-46-3
MolecularFormula:
C21H18O3
MolecularWeight:
318.3658
MdlNumber:
MFCD00022024
Smiles:
O=Cc1ccc(cc1OCc1ccccc1)OCc1ccccc1
Complexity:
358
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
3
RotatableBondCount:
7
Xlogp3:
4.3
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Smiles:
CC(c1ccc(cc1N)[N+](=O)[O-])C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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