AB75792
27104-73-0 | Methyl isoquinoline-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB75792
ChemicalName
Methyl isoquinoline-3-carboxylate
CasNumber
27104-73-0
MolecularFormula
C11H9NO2
MolecularWeight
187.1947
MdlNumber
MFCD00075138
Smiles
COC(=O)c1ncc2c(c1)cccc2
Complexity
217
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AB75792
ChemicalName: Methyl isoquinoline-3-carboxylate
CasNumber: 27104-73-0
MolecularFormula: C11H9NO2
MolecularWeight: 187.1947
MdlNumber: MFCD00075138
Smiles: COC(=O)c1ncc2c(c1)cccc2
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AB75792
ChemicalName:
Methyl isoquinoline-3-carboxylate
CasNumber:
27104-73-0
MolecularFormula:
C11H9NO2
MolecularWeight:
187.1947
MdlNumber:
MFCD00075138
Smiles:
COC(=O)c1ncc2c(c1)cccc2
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)COc1c(OC)cccc1C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)COc1c(OC)cccc1C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB75794
ChemicalName: Methyl 3-methoxy-2-nitrobenzoate
CasNumber: 5307-17-5
MolecularFormula: C9H9NO5
MolecularWeight: 211.1715
MdlNumber: MFCD00051968
Smiles: COC(=O)c1cccc(c1[N+](=O)[O-])OC
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AB75794
ChemicalName:
Methyl 3-methoxy-2-nitrobenzoate
CasNumber:
5307-17-5
MolecularFormula:
C9H9NO5
MolecularWeight:
211.1715
MdlNumber:
MFCD00051968
Smiles:
COC(=O)c1cccc(c1[N+](=O)[O-])OC
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(c(c1)OC)C
Complexity: 179
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(c(c1)OC)C
Complexity:
179
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6