AB75836
69316-08-1 | Methyl 4-(cyanoacetyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75836
ChemicalName
Methyl 4-(cyanoacetyl)benzoate
CasNumber
69316-08-1
MolecularFormula
C11H9NO3
MolecularWeight
203.1941
MdlNumber
MFCD00015378
Smiles
COC(=O)c1ccc(cc1)C(=O)CC#N
Complexity
294
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
1.8
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CatalogNumber: AB75836
ChemicalName: Methyl 4-(cyanoacetyl)benzoate
CasNumber: 69316-08-1
MolecularFormula: C11H9NO3
MolecularWeight: 203.1941
MdlNumber: MFCD00015378
Smiles: COC(=O)c1ccc(cc1)C(=O)CC#N
Complexity: 294
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 1.8
CatalogNumber:
AB75836
ChemicalName:
Methyl 4-(cyanoacetyl)benzoate
CasNumber:
69316-08-1
MolecularFormula:
C11H9NO3
MolecularWeight:
203.1941
MdlNumber:
MFCD00015378
Smiles:
COC(=O)c1ccc(cc1)C(=O)CC#N
Complexity:
294
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
1.8
CatalogNumber: AB75837
ChemicalName: Methyl 4-methanesulfonylbenzoate
CasNumber: 22821-70-1
MolecularFormula: C9H10O4S
MolecularWeight: 214.2383
MdlNumber: MFCD00100037
Smiles: COC(=O)c1ccc(cc1)S(=O)(=O)C
Complexity: 293
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AB75837
ChemicalName:
Methyl 4-methanesulfonylbenzoate
CasNumber:
22821-70-1
MolecularFormula:
C9H10O4S
MolecularWeight:
214.2383
MdlNumber:
MFCD00100037
Smiles:
COC(=O)c1ccc(cc1)S(=O)(=O)C
Complexity:
293
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
1.3
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Smiles: COC(=O)c1ccc(cc1)SC
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COC(=O)c1ccc(cc1)SC
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CSCCCC(=O)OC
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Smiles:
CSCCCC(=O)OC
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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