AG69474
56447-11-1 | Methyl 2-cyanocyclopropane-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG69474
ChemicalName
Methyl 2-cyanocyclopropane-1-carboxylate
CasNumber
56447-11-1
MolecularFormula
C7H9NO2
MolecularWeight
139.1519
MdlNumber
MFCD00065220
Smiles
CCOC(=O)C1CC1C#N
NscNumber
145417
Complexity
191
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
RotatableBondCount
3
UndefinedAtomStereocenterCount
2
Xlogp3
0.3
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CatalogNumber: AG69474
ChemicalName: Methyl 2-cyanocyclopropane-1-carboxylate
CasNumber: 56447-11-1
MolecularFormula: C7H9NO2
MolecularWeight: 139.1519
MdlNumber: MFCD00065220
Smiles: CCOC(=O)C1CC1C#N
NscNumber: 145417
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 2
Xlogp3: 0.3
CatalogNumber:
AG69474
ChemicalName:
Methyl 2-cyanocyclopropane-1-carboxylate
CasNumber:
56447-11-1
MolecularFormula:
C7H9NO2
MolecularWeight:
139.1519
MdlNumber:
MFCD00065220
Smiles:
CCOC(=O)C1CC1C#N
NscNumber:
145417
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
2
Xlogp3:
0.3
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Smiles: COc1ccc2c(c1)nccc2C
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Complexity: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
COc1ccc2c(c1)nccc2C
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: Nc1nnc2-c3ccccc3CCc2c1
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Smiles:
Nc1nnc2-c3ccccc3CCc2c1
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
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Smiles: FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.CCC[N+]1(C)CCCCC1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.CCC[N+]1(C)CCCCC1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__