AE80643
171290-53-2 | 3-Ethynyl-benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AE80643
ChemicalName
3-Ethynyl-benzonitrile
CasNumber
171290-53-2
MolecularFormula
C9H5N
MolecularWeight
127.1427
MdlNumber
MFCD08669429
Smiles
C#Cc1cccc(c1)C#N
Complexity
199
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AE80643
ChemicalName: 3-Ethynyl-benzonitrile
CasNumber: 171290-53-2
MolecularFormula: C9H5N
MolecularWeight: 127.1427
MdlNumber: MFCD08669429
Smiles: C#Cc1cccc(c1)C#N
Complexity: 199
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AE80643
ChemicalName:
3-Ethynyl-benzonitrile
CasNumber:
171290-53-2
MolecularFormula:
C9H5N
MolecularWeight:
127.1427
MdlNumber:
MFCD08669429
Smiles:
C#Cc1cccc(c1)C#N
Complexity:
199
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CC(CCc1cc(C)ccc1C)CCCC(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC(CCc1cc(C)ccc1C)CCCC(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: CC1[C@@H]2C[C@@H]3C[C@@]1(C)C[C@H](C2)C3
Complexity: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CC1[C@@H]2C[C@@H]3C[C@@]1(C)C[C@H](C2)C3
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__