AG64294
57675-44-2 | Trimethylolpropane trioleate
Manufacturer: A2B Chem
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CatalogNumber
AG64294
ChemicalName
Trimethylolpropane trioleate
CasNumber
57675-44-2
MolecularFormula
C60H110O6
MolecularWeight
927.5118
MdlNumber
MFCD00072630
Smiles
CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)(COC(=O)CCCCCCCC=CCCCCCCCC)CC
Complexity
1000
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
3
HeavyAtomCount
66
HydrogenBondAcceptorCount
6
RotatableBondCount
55
Xlogp3
23.3
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CatalogNumber: AG64294
ChemicalName: Trimethylolpropane trioleate
CasNumber: 57675-44-2
MolecularFormula: C60H110O6
MolecularWeight: 927.5118
MdlNumber: MFCD00072630
Smiles: CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)(COC(=O)CCCCCCCC=CCCCCCCCC)CC
Complexity: 1000
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 3
HeavyAtomCount: 66
HydrogenBondAcceptorCount: 6
RotatableBondCount: 55
Xlogp3: 23.3
CatalogNumber:
AG64294
ChemicalName:
Trimethylolpropane trioleate
CasNumber:
57675-44-2
MolecularFormula:
C60H110O6
MolecularWeight:
927.5118
MdlNumber:
MFCD00072630
Smiles:
CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)(COC(=O)CCCCCCCC=CCCCCCCCC)CC
Complexity:
1000
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
3
HeavyAtomCount:
66
HydrogenBondAcceptorCount:
6
RotatableBondCount:
55
Xlogp3:
23.3
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Smiles: Nc1cccc(c1)c1cccnc1
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Smiles:
Nc1cccc(c1)c1cccnc1
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Smiles: CCOC(C)(C)C
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CCOC(C)(C)C
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Smiles: Cc1cccc(c1)c1nc2c([nH]1)cccc2
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CasNumber:
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MolecularFormula:
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Smiles:
Cc1cccc(c1)c1nc2c([nH]1)cccc2
Complexity:
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Covalently-bondedUnitCount:
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DefinedBondStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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