AF60925
39977-44-1 | Methyl 6-(hydroxymethyl)picolinate
Manufacturer: A2B Chem
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CatalogNumber
AF60925
ChemicalName
Methyl 6-(hydroxymethyl)picolinate
CasNumber
39977-44-1
MolecularFormula
C8H9NO3
MolecularWeight
167.16196
MdlNumber
MFCD03840850
Smiles
COC(=O)c1cccc(n1)CO
Complexity
160
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.2
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CatalogNumber: AF60925
ChemicalName: Methyl 6-(hydroxymethyl)picolinate
CasNumber: 39977-44-1
MolecularFormula: C8H9NO3
MolecularWeight: 167.16196
MdlNumber: MFCD03840850
Smiles: COC(=O)c1cccc(n1)CO
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.2
CatalogNumber:
AF60925
ChemicalName:
Methyl 6-(hydroxymethyl)picolinate
CasNumber:
39977-44-1
MolecularFormula:
C8H9NO3
MolecularWeight:
167.16196
MdlNumber:
MFCD03840850
Smiles:
COC(=O)c1cccc(n1)CO
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNC(=O)c1ccc(c(c1)Br)F
Complexity: 176
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNC(=O)c1ccc(c(c1)Br)F
Complexity:
176
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1ccccc1)NC(=O)C(Cl)Cl
Complexity: 191
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1ccccc1)NC(=O)C(Cl)Cl
Complexity:
191
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.8
CatalogNumber: AF60928
ChemicalName: 3,5-Dinitrophenylboronic acid, pinacol ester
CasNumber: 428820-95-5
MolecularFormula: C12H15BN2O6
MolecularWeight: 294.0683
MdlNumber: MFCD11504965
Smiles: CC1(C)OB(OC1(C)C)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Complexity: 406
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AF60928
ChemicalName:
3,5-Dinitrophenylboronic acid, pinacol ester
CasNumber:
428820-95-5
MolecularFormula:
C12H15BN2O6
MolecularWeight:
294.0683
MdlNumber:
MFCD11504965
Smiles:
CC1(C)OB(OC1(C)C)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Complexity:
406
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
__