AC49627
74240-65-6 | 4-(trans-5-Butyl-1,3-dioxan-2-yl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AC49627
ChemicalName
4-(trans-5-Butyl-1,3-dioxan-2-yl)benzonitrile
CasNumber
74240-65-6
MolecularFormula
C15H19NO2
MolecularWeight
245.3169
MdlNumber
MFCD03065939
Smiles
CCCC[C@@H]1CO[C@H](OC1)c1ccc(cc1)C#N
Complexity
280
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
3.3
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CatalogNumber: AC49627
ChemicalName: 4-(trans-5-Butyl-1,3-dioxan-2-yl)benzonitrile
CasNumber: 74240-65-6
MolecularFormula: C15H19NO2
MolecularWeight: 245.3169
MdlNumber: MFCD03065939
Smiles: CCCC[C@@H]1CO[C@H](OC1)c1ccc(cc1)C#N
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 3.3
CatalogNumber:
AC49627
ChemicalName:
4-(trans-5-Butyl-1,3-dioxan-2-yl)benzonitrile
CasNumber:
74240-65-6
MolecularFormula:
C15H19NO2
MolecularWeight:
245.3169
MdlNumber:
MFCD03065939
Smiles:
CCCC[C@@H]1CO[C@H](OC1)c1ccc(cc1)C#N
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
3.3
CatalogNumber: __
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Smiles: CCOC(=O)COc1cccc(c1)CBr
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCOC(=O)COc1cccc(c1)CBr
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
__
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Smiles: OC(=O)CSc1nnc(o1)COc1ccccc1C
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Smiles:
OC(=O)CSc1nnc(o1)COc1ccccc1C
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Smiles: NNCC=C
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__
ChemicalName:
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Smiles:
NNCC=C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__