AF56788
42858-60-6 | 3,5-Dioxocyclohexanecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AF56788
ChemicalName
3,5-Dioxocyclohexanecarboxylic acid
CasNumber
42858-60-6
MolecularFormula
C7H8O4
MolecularWeight
156.136
MdlNumber
MFCD09836162
Smiles
O=C1CC(=O)CC(C1)C(=O)O
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
-0.8
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CatalogNumber: AF56788
ChemicalName: 3,5-Dioxocyclohexanecarboxylic acid
CasNumber: 42858-60-6
MolecularFormula: C7H8O4
MolecularWeight: 156.136
MdlNumber: MFCD09836162
Smiles: O=C1CC(=O)CC(C1)C(=O)O
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.8
CatalogNumber:
AF56788
ChemicalName:
3,5-Dioxocyclohexanecarboxylic acid
CasNumber:
42858-60-6
MolecularFormula:
C7H8O4
MolecularWeight:
156.136
MdlNumber:
MFCD09836162
Smiles:
O=C1CC(=O)CC(C1)C(=O)O
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(ccc1O)CC1COCC1Cc1ccc(c(c1)OC)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1cc(ccc1O)CC1COCC1Cc1ccc(c(c1)OC)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: COc1ncc(c(n1)Cl)OC
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1ncc(c(n1)Cl)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: [O-][N+](=O)c1ccn(n1)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccn(n1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__