AB75612
6587-24-2 | Methyl 2-cyanobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75612
ChemicalName
Methyl 2-cyanobenzoate
CasNumber
6587-24-2
MolecularFormula
C9H7NO2
MolecularWeight
161.1574
MdlNumber
MFCD00016376
Smiles
COC(=O)c1ccccc1C#N
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.5
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CatalogNumber: AB75612
ChemicalName: Methyl 2-cyanobenzoate
CasNumber: 6587-24-2
MolecularFormula: C9H7NO2
MolecularWeight: 161.1574
MdlNumber: MFCD00016376
Smiles: COC(=O)c1ccccc1C#N
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AB75612
ChemicalName:
Methyl 2-cyanobenzoate
CasNumber:
6587-24-2
MolecularFormula:
C9H7NO2
MolecularWeight:
161.1574
MdlNumber:
MFCD00016376
Smiles:
COC(=O)c1ccccc1C#N
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: AB75613
ChemicalName: 2-Cyano-3-pyridinecarboxylic acid methyl ester
CasNumber: 75358-89-3
MolecularFormula: C8H6N2O2
MolecularWeight: 162.1454
MdlNumber: MFCD00128863
Smiles: COC(=O)c1cccnc1C#N
Complexity: 218
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AB75613
ChemicalName:
2-Cyano-3-pyridinecarboxylic acid methyl ester
CasNumber:
75358-89-3
MolecularFormula:
C8H6N2O2
MolecularWeight:
162.1454
MdlNumber:
MFCD00128863
Smiles:
COC(=O)c1cccnc1C#N
Complexity:
218
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: AB75614
ChemicalName: Methyl 2-oxocyclopentanecarboxylate
CasNumber: 10472-24-9
MolecularFormula: C7H10O3
MolecularWeight: 142.1525
MdlNumber: MFCD00001411
Smiles: COC(=O)C1CCCC1=O
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 0.5
CatalogNumber:
AB75614
ChemicalName:
Methyl 2-oxocyclopentanecarboxylate
CasNumber:
10472-24-9
MolecularFormula:
C7H10O3
MolecularWeight:
142.1525
MdlNumber:
MFCD00001411
Smiles:
COC(=O)C1CCCC1=O
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
0.5
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Smiles: CCOc1ccccc1C(=O)OC
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Smiles:
CCOc1ccccc1C(=O)OC
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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