AB48282
69950-65-8 | Methyl 6-formylpicolinate
Manufacturer: A2B Chem
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CatalogNumber
AB48282
ChemicalName
Methyl 6-formylpicolinate
CasNumber
69950-65-8
MolecularFormula
C8H7NO3
MolecularWeight
165.1461
MdlNumber
MFCD07367925
Smiles
COC(=O)c1cccc(n1)C=O
Complexity
181
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
0.8
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CatalogNumber: AB48282
ChemicalName: Methyl 6-formylpicolinate
CasNumber: 69950-65-8
MolecularFormula: C8H7NO3
MolecularWeight: 165.1461
MdlNumber: MFCD07367925
Smiles: COC(=O)c1cccc(n1)C=O
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 0.8
CatalogNumber:
AB48282
ChemicalName:
Methyl 6-formylpicolinate
CasNumber:
69950-65-8
MolecularFormula:
C8H7NO3
MolecularWeight:
165.1461
MdlNumber:
MFCD07367925
Smiles:
COC(=O)c1cccc(n1)C=O
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
0.8
CatalogNumber: AB48283
ChemicalName: (R)-3-Hydroxypyrrolidin-2-one
CasNumber: 77510-50-0
MolecularFormula: C4H7NO2
MolecularWeight: 101.1039
MdlNumber: MFCD12911759
Smiles: O=C1NCC[C@H]1O
Complexity: 91.7
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: -0.9
CatalogNumber:
AB48283
ChemicalName:
(R)-3-Hydroxypyrrolidin-2-one
CasNumber:
77510-50-0
MolecularFormula:
C4H7NO2
MolecularWeight:
101.1039
MdlNumber:
MFCD12911759
Smiles:
O=C1NCC[C@H]1O
Complexity:
91.7
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
-0.9
CatalogNumber: AB48284
ChemicalName: sec-Butyl 4-methylbenzenesulfonate
CasNumber: 715-11-7
MolecularFormula: C11H16O3S
MolecularWeight: 228.3079
MdlNumber: MFCD24660588
Smiles: CCC(OS(=O)(=O)c1ccc(cc1)C)C
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 2.9
CatalogNumber:
AB48284
ChemicalName:
sec-Butyl 4-methylbenzenesulfonate
CasNumber:
715-11-7
MolecularFormula:
C11H16O3S
MolecularWeight:
228.3079
MdlNumber:
MFCD24660588
Smiles:
CCC(OS(=O)(=O)c1ccc(cc1)C)C
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1[nH]c(=O)c2c([nH]1)nc[nH]2
Complexity: 217
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1[nH]c(=O)c2c([nH]1)nc[nH]2
Complexity:
217
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.7