AD46765
154848-39-2 | 4-(3-Methoxyphenyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AD46765
ChemicalName
4-(3-Methoxyphenyl)benzonitrile
CasNumber
154848-39-2
MolecularFormula
C14H11NO
MolecularWeight
209.2432
MdlNumber
MFCD06801995
Smiles
COc1cccc(c1)c1ccc(cc1)C#N
Complexity
259
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
3.2
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CatalogNumber: AD46765
ChemicalName: 4-(3-Methoxyphenyl)benzonitrile
CasNumber: 154848-39-2
MolecularFormula: C14H11NO
MolecularWeight: 209.2432
MdlNumber: MFCD06801995
Smiles: COc1cccc(c1)c1ccc(cc1)C#N
Complexity: 259
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 3.2
CatalogNumber:
AD46765
ChemicalName:
4-(3-Methoxyphenyl)benzonitrile
CasNumber:
154848-39-2
MolecularFormula:
C14H11NO
MolecularWeight:
209.2432
MdlNumber:
MFCD06801995
Smiles:
COc1cccc(c1)c1ccc(cc1)C#N
Complexity:
259
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
3.2
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Smiles: CCCCCCCCCCCCOc1ccc(cc1)C(=O)OCC
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HydrogenBondAcceptorCount: __
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Smiles:
CCCCCCCCCCCCOc1ccc(cc1)C(=O)OCC
Complexity:
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Smiles: CC(/C=C/B1OC(C(O1)(C)C)(C)C)(C)C
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CC(/C=C/B1OC(C(O1)(C)C)(C)C)(C)C
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HydrogenBondAcceptorCount:
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Smiles: CCCCCC[C@@]12COC(=O)[C@H]2C(=C)C(=O)O1
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MolecularFormula:
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Smiles:
CCCCCC[C@@]12COC(=O)[C@H]2C(=C)C(=O)O1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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