AF90096
41171-91-9 | 3-Oxocyclopentane-1-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AF90096
ChemicalName
3-Oxocyclopentane-1-carbonitrile
CasNumber
41171-91-9
MolecularFormula
C6H7NO
MolecularWeight
109.1259
MdlNumber
MFCD21184612
Smiles
N#CC1CCC(=O)C1
Complexity
153
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
-0.2
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CatalogNumber: AF90096
ChemicalName: 3-Oxocyclopentane-1-carbonitrile
CasNumber: 41171-91-9
MolecularFormula: C6H7NO
MolecularWeight: 109.1259
MdlNumber: MFCD21184612
Smiles: N#CC1CCC(=O)C1
Complexity: 153
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.2
CatalogNumber:
AF90096
ChemicalName:
3-Oxocyclopentane-1-carbonitrile
CasNumber:
41171-91-9
MolecularFormula:
C6H7NO
MolecularWeight:
109.1259
MdlNumber:
MFCD21184612
Smiles:
N#CC1CCC(=O)C1
Complexity:
153
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)Nc1cncc(c1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)Nc1cncc(c1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: [N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCC(=O)O
Complexity: __
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HeavyAtomCount: __
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UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__