AB40308
30510-18-0 | 3-Oxo-3-(3-pyridinyl)propanenitrile
Manufacturer: A2B Chem
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CatalogNumber
AB40308
ChemicalName
3-Oxo-3-(3-pyridinyl)propanenitrile
CasNumber
30510-18-0
MolecularFormula
C8H6N2O
MolecularWeight
146.146
MdlNumber
MFCD08282797
Smiles
N#CCC(=O)c1cccnc1
Complexity
192
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
0.3
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CatalogNumber: AB40308
ChemicalName: 3-Oxo-3-(3-pyridinyl)propanenitrile
CasNumber: 30510-18-0
MolecularFormula: C8H6N2O
MolecularWeight: 146.146
MdlNumber: MFCD08282797
Smiles: N#CCC(=O)c1cccnc1
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 0.3
CatalogNumber:
AB40308
ChemicalName:
3-Oxo-3-(3-pyridinyl)propanenitrile
CasNumber:
30510-18-0
MolecularFormula:
C8H6N2O
MolecularWeight:
146.146
MdlNumber:
MFCD08282797
Smiles:
N#CCC(=O)c1cccnc1
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
0.3
CatalogNumber: __
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Smiles: CN1CCC(CC1)NCCc1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CN1CCC(CC1)NCCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CCN(C(=S)SCc1ccccc1)CC
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCN(C(=S)SCc1ccccc1)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: COC(=O)C=CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C=CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__