AB48935
56026-36-9 | Methyl 6-(hydroxymethyl)nicotinate
Manufacturer: A2B Chem
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CatalogNumber
AB48935
ChemicalName
Methyl 6-(hydroxymethyl)nicotinate
CasNumber
56026-36-9
MolecularFormula
C8H9NO3
MolecularWeight
167.162
MdlNumber
MFCD00643821
Smiles
COC(=O)c1ccc(nc1)CO
Complexity
160
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.1
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CatalogNumber: AB48935
ChemicalName: Methyl 6-(hydroxymethyl)nicotinate
CasNumber: 56026-36-9
MolecularFormula: C8H9NO3
MolecularWeight: 167.162
MdlNumber: MFCD00643821
Smiles: COC(=O)c1ccc(nc1)CO
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.1
CatalogNumber:
AB48935
ChemicalName:
Methyl 6-(hydroxymethyl)nicotinate
CasNumber:
56026-36-9
MolecularFormula:
C8H9NO3
MolecularWeight:
167.162
MdlNumber:
MFCD00643821
Smiles:
COC(=O)c1ccc(nc1)CO
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(C=CC(=O)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(C=CC(=O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CCOCC(OCC(O)C)C
Complexity: 114
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CCOCC(OCC(O)C)C
Complexity:
114
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.8
CatalogNumber: AB48938
ChemicalName: 2-Bromo-4-methylquinoline
CasNumber: 64658-04-4
MolecularFormula: C10H8BrN
MolecularWeight: 222.0812
MdlNumber: MFCD08705663
Smiles: Brc1cc(C)c2c(n1)cccc2
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.6
CatalogNumber:
AB48938
ChemicalName:
2-Bromo-4-methylquinoline
CasNumber:
64658-04-4
MolecularFormula:
C10H8BrN
MolecularWeight:
222.0812
MdlNumber:
MFCD08705663
Smiles:
Brc1cc(C)c2c(n1)cccc2
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.6