AB01236
17874-79-2 | 5-(Methoxycarbonyl)pyridine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB01236
ChemicalName
5-(Methoxycarbonyl)pyridine-2-carboxylic acid
CasNumber
17874-79-2
MolecularFormula
C8H7NO4
MolecularWeight
181.1455
MdlNumber
MFCD00179343
Smiles
COC(=O)c1ccc(nc1)C(=O)O
NscNumber
236641
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.6
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CatalogNumber: AB01236
ChemicalName: 5-(Methoxycarbonyl)pyridine-2-carboxylic acid
CasNumber: 17874-79-2
MolecularFormula: C8H7NO4
MolecularWeight: 181.1455
MdlNumber: MFCD00179343
Smiles: COC(=O)c1ccc(nc1)C(=O)O
NscNumber: 236641
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.6
CatalogNumber:
AB01236
ChemicalName:
5-(Methoxycarbonyl)pyridine-2-carboxylic acid
CasNumber:
17874-79-2
MolecularFormula:
C8H7NO4
MolecularWeight:
181.1455
MdlNumber:
MFCD00179343
Smiles:
COC(=O)c1ccc(nc1)C(=O)O
NscNumber:
236641
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1ccc(cn1)C(=O)[O-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1ccc(cn1)C(=O)[O-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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
NscNumber: __
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
NscNumber:
__
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC[N+]1(C)CCCCC1.[I-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC[N+]1(C)CCCCC1.[I-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__