AB45921
5453-67-8 | Dimethyl pyridine-2,6-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB45921
ChemicalName
Dimethyl pyridine-2,6-dicarboxylate
CasNumber
5453-67-8
MolecularFormula
C9H9NO4
MolecularWeight
195.1721
MdlNumber
MFCD00134493
Smiles
COC(=O)c1cccc(n1)C(=O)OC
NscNumber
18855
Complexity
207
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
RotatableBondCount
4
Xlogp3
1.2
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CatalogNumber: AB45921
ChemicalName: Dimethyl pyridine-2,6-dicarboxylate
CasNumber: 5453-67-8
MolecularFormula: C9H9NO4
MolecularWeight: 195.1721
MdlNumber: MFCD00134493
Smiles: COC(=O)c1cccc(n1)C(=O)OC
NscNumber: 18855
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 1.2
CatalogNumber:
AB45921
ChemicalName:
Dimethyl pyridine-2,6-dicarboxylate
CasNumber:
5453-67-8
MolecularFormula:
C9H9NO4
MolecularWeight:
195.1721
MdlNumber:
MFCD00134493
Smiles:
COC(=O)c1cccc(n1)C(=O)OC
NscNumber:
18855
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
1.2
CatalogNumber: AB45922
ChemicalName: Dimethyl 2-fluoroterephthalate
CasNumber: 5292-47-7
MolecularFormula: C10H9FO4
MolecularWeight: 212.1745
MdlNumber: MFCD00042266
Smiles: COC(=O)c1ccc(c(c1)F)C(=O)OC
NscNumber: __
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 2.8
CatalogNumber:
AB45922
ChemicalName:
Dimethyl 2-fluoroterephthalate
CasNumber:
5292-47-7
MolecularFormula:
C10H9FO4
MolecularWeight:
212.1745
MdlNumber:
MFCD00042266
Smiles:
COC(=O)c1ccc(c(c1)F)C(=O)OC
NscNumber:
__
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(C(=O)OC)C(=O)OC
NscNumber: __
Complexity: 137
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(C(=O)OC)C(=O)OC
NscNumber:
__
Complexity:
137
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.1
CatalogNumber: AB45924
ChemicalName: Dimethyl but-2-ynedioate
CasNumber: 762-42-5
MolecularFormula: C6H6O4
MolecularWeight: 142.1094
MdlNumber: MFCD00008456
Smiles: COC(=O)C#CC(=O)OC
NscNumber: __
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AB45924
ChemicalName:
Dimethyl but-2-ynedioate
CasNumber:
762-42-5
MolecularFormula:
C6H6O4
MolecularWeight:
142.1094
MdlNumber:
MFCD00008456
Smiles:
COC(=O)C#CC(=O)OC
NscNumber:
__
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
0.8