AG68508
5817-92-5 | 2,4-Dioxo-4-phenylbutanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG68508
ChemicalName
2,4-Dioxo-4-phenylbutanoic acid
CasNumber
5817-92-5
MolecularFormula
C10H8O4
MolecularWeight
192.1681
MdlNumber
MFCD00456054
Smiles
O=C(c1ccccc1)CC(=O)C(=O)O
Complexity
251
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.2
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CatalogNumber: AG68508
ChemicalName: 2,4-Dioxo-4-phenylbutanoic acid
CasNumber: 5817-92-5
MolecularFormula: C10H8O4
MolecularWeight: 192.1681
MdlNumber: MFCD00456054
Smiles: O=C(c1ccccc1)CC(=O)C(=O)O
Complexity: 251
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.2
CatalogNumber:
AG68508
ChemicalName:
2,4-Dioxo-4-phenylbutanoic acid
CasNumber:
5817-92-5
MolecularFormula:
C10H8O4
MolecularWeight:
192.1681
MdlNumber:
MFCD00456054
Smiles:
O=C(c1ccccc1)CC(=O)C(=O)O
Complexity:
251
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: Clc1cccc2c1OCC(=O)N2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
Clc1cccc2c1OCC(=O)N2
Complexity:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Oc1nnc(c2c1[nH]cn2)O
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Smiles:
Oc1nnc(c2c1[nH]cn2)O
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Brc1ccc2c(c1)c1CCCC(=O)c1[nH]2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(c1)c1CCCC(=O)c1[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__