AF56421
33225-72-8 | 2-Nitronicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AF56421
ChemicalName
2-Nitronicotinic acid
CasNumber
33225-72-8
MolecularFormula
C6H4N2O4
MolecularWeight
168.107
MdlNumber
MFCD04114130
Smiles
[O-][N+](=O)c1ncccc1C(=O)O
NscNumber
170847
Complexity
200
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.5
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CatalogNumber: AF56421
ChemicalName: 2-Nitronicotinic acid
CasNumber: 33225-72-8
MolecularFormula: C6H4N2O4
MolecularWeight: 168.107
MdlNumber: MFCD04114130
Smiles: [O-][N+](=O)c1ncccc1C(=O)O
NscNumber: 170847
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AF56421
ChemicalName:
2-Nitronicotinic acid
CasNumber:
33225-72-8
MolecularFormula:
C6H4N2O4
MolecularWeight:
168.107
MdlNumber:
MFCD04114130
Smiles:
[O-][N+](=O)c1ncccc1C(=O)O
NscNumber:
170847
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCC=CCCCCCCCC(=O)Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCCCCC=CCCCCCCCC(=O)Cl
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Complexity:
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RotatableBondCount:
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ChemicalName: __
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MolecularFormula: __
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Smiles: CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
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Complexity: __
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HydrogenBondAcceptorCount: __
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MolecularWeight:
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Smiles:
CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCCCCCCCCCCC=CCCCCC(=O)OC(COC(=O)CCCCC=CCCCCCCCCCCC)COC(=O)CCCCC=CCCCCCCCCCCC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCCCCCCCCCCC=CCCCCC(=O)OC(COC(=O)CCCCC=CCCCCCCCCCCC)COC(=O)CCCCC=CCCCCCCCCCCC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__