AB75811
103698-10-8 | Methyl 3-nitroisonicotinate
Manufacturer: A2B Chem
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CatalogNumber
AB75811
ChemicalName
Methyl 3-nitroisonicotinate
CasNumber
103698-10-8
MolecularFormula
C7H6N2O4
MolecularWeight
182.1335
MdlNumber
MFCD16657194
Smiles
COC(=O)c1ccncc1[N+](=O)[O-]
Complexity
213
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
0.5
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CatalogNumber: AB75811
ChemicalName: Methyl 3-nitroisonicotinate
CasNumber: 103698-10-8
MolecularFormula: C7H6N2O4
MolecularWeight: 182.1335
MdlNumber: MFCD16657194
Smiles: COC(=O)c1ccncc1[N+](=O)[O-]
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 0.5
CatalogNumber:
AB75811
ChemicalName:
Methyl 3-nitroisonicotinate
CasNumber:
103698-10-8
MolecularFormula:
C7H6N2O4
MolecularWeight:
182.1335
MdlNumber:
MFCD16657194
Smiles:
COC(=O)c1ccncc1[N+](=O)[O-]
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCC=CCC(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCC=CCC(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB75813
ChemicalName: 3-Oxo-4-phenylbutyric acid methyl ester
CasNumber: 37779-49-0
MolecularFormula: C11H12O3
MolecularWeight: 192.2112
MdlNumber: MFCD03424746
Smiles: COC(=O)CC(=O)Cc1ccccc1
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 1.6
CatalogNumber:
AB75813
ChemicalName:
3-Oxo-4-phenylbutyric acid methyl ester
CasNumber:
37779-49-0
MolecularFormula:
C11H12O3
MolecularWeight:
192.2112
MdlNumber:
MFCD03424746
Smiles:
COC(=O)CC(=O)Cc1ccccc1
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1SCCC1=O
Complexity: 166
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1SCCC1=O
Complexity:
166
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.5