AB75937
29898-23-5 | Methyl 5-(dimethylamino)nicotinate
Manufacturer: A2B Chem
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CatalogNumber
AB75937
ChemicalName
Methyl 5-(dimethylamino)nicotinate
CasNumber
29898-23-5
MolecularFormula
C9H12N2O2
MolecularWeight
180.2038
MdlNumber
MFCD12198848
Smiles
COC(=O)c1cncc(c1)N(C)C
Complexity
183
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
0.8
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CatalogNumber: AB75937
ChemicalName: Methyl 5-(dimethylamino)nicotinate
CasNumber: 29898-23-5
MolecularFormula: C9H12N2O2
MolecularWeight: 180.2038
MdlNumber: MFCD12198848
Smiles: COC(=O)c1cncc(c1)N(C)C
Complexity: 183
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 0.8
CatalogNumber:
AB75937
ChemicalName:
Methyl 5-(dimethylamino)nicotinate
CasNumber:
29898-23-5
MolecularFormula:
C9H12N2O2
MolecularWeight:
180.2038
MdlNumber:
MFCD12198848
Smiles:
COC(=O)c1cncc(c1)N(C)C
Complexity:
183
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1nc[nH]c1CO
Complexity: 151
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1nc[nH]c1CO
Complexity:
151
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cncc(c1)NC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cncc(c1)NC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB75940
ChemicalName: Methyl 5-(methylsulfonyl)nicotinate
CasNumber: 1186663-66-0
MolecularFormula: C8H9NO4S
MolecularWeight: 215.2264
MdlNumber: MFCD12828715
Smiles: COC(=O)c1cncc(c1)S(=O)(=O)C
Complexity: 306
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: -0.1
CatalogNumber:
AB75940
ChemicalName:
Methyl 5-(methylsulfonyl)nicotinate
CasNumber:
1186663-66-0
MolecularFormula:
C8H9NO4S
MolecularWeight:
215.2264
MdlNumber:
MFCD12828715
Smiles:
COC(=O)c1cncc(c1)S(=O)(=O)C
Complexity:
306
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
-0.1