AI38893
17071-33-9 | Ethyl 5-hydroxy-3-oxo-5-phenylpentanoate
Manufacturer: A2B Chem
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CatalogNumber
AI38893
ChemicalName
Ethyl 5-hydroxy-3-oxo-5-phenylpentanoate
CasNumber
17071-33-9
MolecularFormula
C13H16O4
MolecularWeight
236.2637
MdlNumber
MFCD29059436
Smiles
CCOC(=O)CC(=O)CC(c1ccccc1)O
Complexity
256
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
7
UndefinedAtomStereocenterCount
1
Xlogp3
1.1
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CatalogNumber: AI38893
ChemicalName: Ethyl 5-hydroxy-3-oxo-5-phenylpentanoate
CasNumber: 17071-33-9
MolecularFormula: C13H16O4
MolecularWeight: 236.2637
MdlNumber: MFCD29059436
Smiles: CCOC(=O)CC(=O)CC(c1ccccc1)O
Complexity: 256
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 7
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.1
CatalogNumber:
AI38893
ChemicalName:
Ethyl 5-hydroxy-3-oxo-5-phenylpentanoate
CasNumber:
17071-33-9
MolecularFormula:
C13H16O4
MolecularWeight:
236.2637
MdlNumber:
MFCD29059436
Smiles:
CCOC(=O)CC(=O)CC(c1ccccc1)O
Complexity:
256
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.1
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Smiles: CC(=O)c1cccc2c1OCC2
Complexity: __
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
CC(=O)c1cccc2c1OCC2
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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Smiles: Brc1ccc2c(c1)ccc(c2)C(=O)OCc1ccccc1
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Smiles:
Brc1ccc2c(c1)ccc(c2)C(=O)OCc1ccccc1
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: COc1cccc(c1CC(=O)O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc(c1CC(=O)O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__