AB60519
6289-46-9 | Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB60519
ChemicalName
Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate
CasNumber
6289-46-9
MolecularFormula
C10H12O6
MolecularWeight
228.1987
MdlNumber
MFCD00001607
Smiles
COC(=O)C1CC(=O)C(CC1=O)C(=O)OC
Complexity
311
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
RotatableBondCount
4
UndefinedAtomStereocenterCount
2
Xlogp3
-0.4
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CatalogNumber: AB60519
ChemicalName: Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate
CasNumber: 6289-46-9
MolecularFormula: C10H12O6
MolecularWeight: 228.1987
MdlNumber: MFCD00001607
Smiles: COC(=O)C1CC(=O)C(CC1=O)C(=O)OC
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 2
Xlogp3: -0.4
CatalogNumber:
AB60519
ChemicalName:
Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate
CasNumber:
6289-46-9
MolecularFormula:
C10H12O6
MolecularWeight:
228.1987
MdlNumber:
MFCD00001607
Smiles:
COC(=O)C1CC(=O)C(CC1=O)C(=O)OC
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
2
Xlogp3:
-0.4
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Smiles: O=C(ON1C(=O)CCC1=O)CCOCCOCCOCCOCCON1C(=O)c2c(C1=O)cccc2
Complexity: __
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Smiles:
O=C(ON1C(=O)CCC1=O)CCOCCOCCOCCOCCON1C(=O)c2c(C1=O)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
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HydrogenBondAcceptorCount:
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UndefinedAtomStereocenterCount:
__
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Smiles: O=Cc1ccc(cc1)C(=O)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
Complexity: __
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Smiles:
O=Cc1ccc(cc1)C(=O)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(ON1C(=O)CCC1=O)CSC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(ON1C(=O)CCC1=O)CSC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__