AA24210
118431-88-2 | 3-Cyclopropyl-3-oxopropanenitrile
Manufacturer: A2B Chem
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CatalogNumber
AA24210
ChemicalName
3-Cyclopropyl-3-oxopropanenitrile
CasNumber
118431-88-2
MolecularFormula
C6H7NO
MolecularWeight
109.1259
MdlNumber
MFCD04114392
Smiles
N#CCC(=O)C1CC1
Complexity
149
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
0.3
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CatalogNumber: AA24210
ChemicalName: 3-Cyclopropyl-3-oxopropanenitrile
CasNumber: 118431-88-2
MolecularFormula: C6H7NO
MolecularWeight: 109.1259
MdlNumber: MFCD04114392
Smiles: N#CCC(=O)C1CC1
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 0.3
CatalogNumber:
AA24210
ChemicalName:
3-Cyclopropyl-3-oxopropanenitrile
CasNumber:
118431-88-2
MolecularFormula:
C6H7NO
MolecularWeight:
109.1259
MdlNumber:
MFCD04114392
Smiles:
N#CCC(=O)C1CC1
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
0.3
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Smiles: CCCCC(C(=O)c1sc2c(c1)CSC2)CC
Complexity: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCCC(C(=O)c1sc2c(c1)CSC2)CC
Complexity:
__
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C1C=C(C(=O)N1Cc1cccc(c1)CN1C(=O)C=C(C1=O)C)C
Complexity: __
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Smiles:
O=C1C=C(C(=O)N1Cc1cccc(c1)CN1C(=O)C=C(C1=O)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: Cc1ccc(cc1)S(=O)(=O)N1C[C@@H]1C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Cc1ccc(cc1)S(=O)(=O)N1C[C@@H]1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__