AB48080
86604-78-6 | 4-Methoxy-3,5-dimethyl-2-pyridinemethanol
Manufacturer: A2B Chem
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CatalogNumber
AB48080
ChemicalName
4-Methoxy-3,5-dimethyl-2-pyridinemethanol
CasNumber
86604-78-6
MolecularFormula
C9H13NO2
MolecularWeight
167.205
MdlNumber
MFCD01076195
Smiles
COc1c(C)cnc(c1C)CO
Complexity
141
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.7
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CatalogNumber: AB48080
ChemicalName: 4-Methoxy-3,5-dimethyl-2-pyridinemethanol
CasNumber: 86604-78-6
MolecularFormula: C9H13NO2
MolecularWeight: 167.205
MdlNumber: MFCD01076195
Smiles: COc1c(C)cnc(c1C)CO
Complexity: 141
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AB48080
ChemicalName:
4-Methoxy-3,5-dimethyl-2-pyridinemethanol
CasNumber:
86604-78-6
MolecularFormula:
C9H13NO2
MolecularWeight:
167.205
MdlNumber:
MFCD01076195
Smiles:
COc1c(C)cnc(c1C)CO
Complexity:
141
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1COCC1
Complexity: 44.8
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1COCC1
Complexity:
44.8
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.4
CatalogNumber: AB48082
ChemicalName: 2-Amino-5-(trifluoromethyl)benzoic acid
CasNumber: 83265-53-6
MolecularFormula: C8H6F3NO2
MolecularWeight: 205.1339
MdlNumber: MFCD01569537
Smiles: OC(=O)c1cc(ccc1N)C(F)(F)F
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AB48082
ChemicalName:
2-Amino-5-(trifluoromethyl)benzoic acid
CasNumber:
83265-53-6
MolecularFormula:
C8H6F3NO2
MolecularWeight:
205.1339
MdlNumber:
MFCD01569537
Smiles:
OC(=O)c1cc(ccc1N)C(F)(F)F
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@H](C(=O)O)CC(=O)OCc1ccccc1)OCC1c2ccccc2-c2c1cccc2
Complexity: 668
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@H](C(=O)O)CC(=O)OCc1ccccc1)OCC1c2ccccc2-c2c1cccc2
Complexity:
668
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4