AG66318
5841-70-3 | Sodium (z)-2-cyano-2-phenylethylenolate
Manufacturer: A2B Chem
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CatalogNumber
AG66318
ChemicalName
Sodium (z)-2-cyano-2-phenylethylenolate
CasNumber
5841-70-3
MolecularFormula
C9H7NO
MolecularWeight
145.158
MdlNumber
MFCD00024158
Smiles
O=CC(c1ccccc1)C#N
NscNumber
403771
Complexity
173
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.3
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CatalogNumber: AG66318
ChemicalName: Sodium (z)-2-cyano-2-phenylethylenolate
CasNumber: 5841-70-3
MolecularFormula: C9H7NO
MolecularWeight: 145.158
MdlNumber: MFCD00024158
Smiles: O=CC(c1ccccc1)C#N
NscNumber: 403771
Complexity: 173
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.3
CatalogNumber:
AG66318
ChemicalName:
Sodium (z)-2-cyano-2-phenylethylenolate
CasNumber:
5841-70-3
MolecularFormula:
C9H7NO
MolecularWeight:
145.158
MdlNumber:
MFCD00024158
Smiles:
O=CC(c1ccccc1)C#N
NscNumber:
403771
Complexity:
173
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.3
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Smiles: CN(CCC1=C(C(c2ccccn2)C)c2c(C1)cccc2)C
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Complexity: __
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Smiles:
CN(CCC1=C(C(c2ccccn2)C)c2c(C1)cccc2)C
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Smiles: CCOc1cc(OCC)c(c(c1)OCC)C=O
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Smiles:
CCOc1cc(OCC)c(c(c1)OCC)C=O
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HeavyAtomCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: CN1CC[C@]23[C@]4([C@@H]1Nc1c3cccc1)CCN([C@H]2Nc1c4cccc1)C
NscNumber: __
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CC[C@]23[C@]4([C@@H]1Nc1c3cccc1)CCN([C@H]2Nc1c4cccc1)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__