AA93103
17484-36-5 | 4-Methyl-3-nitroanisole
Manufacturer: A2B Chem
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CatalogNumber
AA93103
ChemicalName
4-Methyl-3-nitroanisole
CasNumber
17484-36-5
MolecularFormula
C8H9NO3
MolecularWeight
167.162
MdlNumber
MFCD00007173
Smiles
COc1ccc(c(c1)[N+](=O)[O-])C
Complexity
166
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
2.4
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CatalogNumber: AA93103
ChemicalName: 4-Methyl-3-nitroanisole
CasNumber: 17484-36-5
MolecularFormula: C8H9NO3
MolecularWeight: 167.162
MdlNumber: MFCD00007173
Smiles: COc1ccc(c(c1)[N+](=O)[O-])C
Complexity: 166
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AA93103
ChemicalName:
4-Methyl-3-nitroanisole
CasNumber:
17484-36-5
MolecularFormula:
C8H9NO3
MolecularWeight:
167.162
MdlNumber:
MFCD00007173
Smiles:
COc1ccc(c(c1)[N+](=O)[O-])C
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(cc(c1)C(C)(C)C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(cc(c1)C(C)(C)C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]([C@@H]1O[C@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)NC(=O)C)OCc1ccccc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]([C@@H]1O[C@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)NC(=O)C)OCc1ccccc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA93115
ChemicalName: 4-(2-Formylphenyl)piperazine-1-carboxylic acid tert-butyl ester
CasNumber: 174855-57-3
MolecularFormula: C16H22N2O3
MolecularWeight: 290.3575
MdlNumber: MFCD05864664
Smiles: O=Cc1ccccc1N1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 370
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AA93115
ChemicalName:
4-(2-Formylphenyl)piperazine-1-carboxylic acid tert-butyl ester
CasNumber:
174855-57-3
MolecularFormula:
C16H22N2O3
MolecularWeight:
290.3575
MdlNumber:
MFCD05864664
Smiles:
O=Cc1ccccc1N1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
370
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
2.2