AA74279
14920-81-1 | Methyl 2,6-dimethylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA74279
ChemicalName
Methyl 2,6-dimethylbenzoate
CasNumber
14920-81-1
MolecularFormula
C10H12O2
MolecularWeight
164.2011
MdlNumber
MFCD06203721
Smiles
COC(=O)c1c(C)cccc1C
Complexity
155
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AA74279
ChemicalName: Methyl 2,6-dimethylbenzoate
CasNumber: 14920-81-1
MolecularFormula: C10H12O2
MolecularWeight: 164.2011
MdlNumber: MFCD06203721
Smiles: COC(=O)c1c(C)cccc1C
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AA74279
ChemicalName:
Methyl 2,6-dimethylbenzoate
CasNumber:
14920-81-1
MolecularFormula:
C10H12O2
MolecularWeight:
164.2011
MdlNumber:
MFCD06203721
Smiles:
COC(=O)c1c(C)cccc1C
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(F)nc2N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(F)nc2N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@@H](NC(=O)OCc1ccccc1)COS(=O)(=O)c1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@@H](NC(=O)OCc1ccccc1)COS(=O)(=O)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA74285
ChemicalName: 4-Nitrophenyl palmitate
CasNumber: 1492-30-4
MolecularFormula: C22H35NO4
MolecularWeight: 377.5176
MdlNumber: MFCD00047732
Smiles: CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
Complexity: 386
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 4
RotatableBondCount: 16
Xlogp3: 8.8
CatalogNumber:
AA74285
ChemicalName:
4-Nitrophenyl palmitate
CasNumber:
1492-30-4
MolecularFormula:
C22H35NO4
MolecularWeight:
377.5176
MdlNumber:
MFCD00047732
Smiles:
CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
Complexity:
386
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
4
RotatableBondCount:
16
Xlogp3:
8.8