AI65674
98491-78-2 | Methyl 2-hydroxy-6-methylisonicotinate
Manufacturer: A2B Chem
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CatalogNumber
AI65674
ChemicalName
Methyl 2-hydroxy-6-methylisonicotinate
CasNumber
98491-78-2
MolecularFormula
C8H9NO3
MolecularWeight
167.16195999999997
MdlNumber
MFCD13188667
Smiles
COC(=O)c1cc(C)nc(c1)O
Complexity
289
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.2
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CatalogNumber: AI65674
ChemicalName: Methyl 2-hydroxy-6-methylisonicotinate
CasNumber: 98491-78-2
MolecularFormula: C8H9NO3
MolecularWeight: 167.16195999999997
MdlNumber: MFCD13188667
Smiles: COC(=O)c1cc(C)nc(c1)O
Complexity: 289
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.2
CatalogNumber:
AI65674
ChemicalName:
Methyl 2-hydroxy-6-methylisonicotinate
CasNumber:
98491-78-2
MolecularFormula:
C8H9NO3
MolecularWeight:
167.16195999999997
MdlNumber:
MFCD13188667
Smiles:
COC(=O)c1cc(C)nc(c1)O
Complexity:
289
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1cc(cnc1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1cc(cnc1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1ccn(c(=O)[nH]1)[C@@H]1O[C@H]2[C@H](C1)O[Si](O[Si](OC2)(C(C)C)C(C)C)(C(C)C)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1ccn(c(=O)[nH]1)[C@@H]1O[C@H]2[C@H](C1)O[Si](O[Si](OC2)(C(C)C)C(C)C)(C(C)C)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(cccc1C(=O)O)c1ccccc1
Complexity: 258
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(cccc1C(=O)O)c1ccccc1
Complexity:
258
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3