AB01238
17874-76-9 | 2-Methyl hydrogen pyridine-2,5-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB01238
ChemicalName
2-Methyl hydrogen pyridine-2,5-dicarboxylate
CasNumber
17874-76-9
MolecularFormula
C8H7NO4
MolecularWeight
181.1455
MdlNumber
MFCD09702182
Smiles
COC(=O)c1ccc(cn1)C(=O)O
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.6
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CatalogNumber: AB01238
ChemicalName: 2-Methyl hydrogen pyridine-2,5-dicarboxylate
CasNumber: 17874-76-9
MolecularFormula: C8H7NO4
MolecularWeight: 181.1455
MdlNumber: MFCD09702182
Smiles: COC(=O)c1ccc(cn1)C(=O)O
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.6
CatalogNumber:
AB01238
ChemicalName:
2-Methyl hydrogen pyridine-2,5-dicarboxylate
CasNumber:
17874-76-9
MolecularFormula:
C8H7NO4
MolecularWeight:
181.1455
MdlNumber:
MFCD09702182
Smiles:
COC(=O)c1ccc(cn1)C(=O)O
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.6
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Smiles: CCC[N+]1(C)CCCCC1.[I-]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCC[N+]1(C)CCCCC1.[I-]
Complexity:
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HydrogenBondAcceptorCount:
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Smiles: CN1CCCCC1.Cl
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Smiles:
CN1CCCCC1.Cl
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=c1cc(C)c2c(o1)ccc(c2)C(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=c1cc(C)c2c(o1)ccc(c2)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__