AF88892
33090-69-6 | Methyl 3-cyano-1h-pyrazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF88892
ChemicalName
Methyl 3-cyano-1h-pyrazole-4-carboxylate
CasNumber
33090-69-6
MolecularFormula
C6H5N3O2
MolecularWeight
151.1228
MdlNumber
MFCD18830810
Smiles
COC(=O)c1c[nH]nc1C#N
Complexity
207
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.1
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CatalogNumber: AF88892
ChemicalName: Methyl 3-cyano-1h-pyrazole-4-carboxylate
CasNumber: 33090-69-6
MolecularFormula: C6H5N3O2
MolecularWeight: 151.1228
MdlNumber: MFCD18830810
Smiles: COC(=O)c1c[nH]nc1C#N
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.1
CatalogNumber:
AF88892
ChemicalName:
Methyl 3-cyano-1h-pyrazole-4-carboxylate
CasNumber:
33090-69-6
MolecularFormula:
C6H5N3O2
MolecularWeight:
151.1228
MdlNumber:
MFCD18830810
Smiles:
COC(=O)c1c[nH]nc1C#N
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.1
CatalogNumber: __
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MolecularFormula: __
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Smiles: N#CCc1cc(ccc1C)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
N#CCc1cc(ccc1C)[N+](=O)[O-]
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: OCC1CCCC(=C1)OC
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Smiles:
OCC1CCCC(=C1)OC
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CC(Nc1ccncc1[N+](=O)[O-])C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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:
CC(Nc1ccncc1[N+](=O)[O-])C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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