AE13631
101341-45-1 | Methyl 3-(4-cyanophenyl)-3-oxopropanoate
Manufacturer: A2B Chem
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CatalogNumber
AE13631
ChemicalName
Methyl 3-(4-cyanophenyl)-3-oxopropanoate
CasNumber
101341-45-1
MolecularFormula
C11H9NO3
MolecularWeight
203.1941
MdlNumber
MFCD03424782
Smiles
COC(=O)CC(=O)c1ccc(cc1)C#N
Complexity
294
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
1.3
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CatalogNumber: AE13631
ChemicalName: Methyl 3-(4-cyanophenyl)-3-oxopropanoate
CasNumber: 101341-45-1
MolecularFormula: C11H9NO3
MolecularWeight: 203.1941
MdlNumber: MFCD03424782
Smiles: COC(=O)CC(=O)c1ccc(cc1)C#N
Complexity: 294
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 1.3
CatalogNumber:
AE13631
ChemicalName:
Methyl 3-(4-cyanophenyl)-3-oxopropanoate
CasNumber:
101341-45-1
MolecularFormula:
C11H9NO3
MolecularWeight:
203.1941
MdlNumber:
MFCD03424782
Smiles:
COC(=O)CC(=O)c1ccc(cc1)C#N
Complexity:
294
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
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Smiles: CC1Oc2c(C1)cc(cc2)B(O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC1Oc2c(C1)cc(cc2)B(O)O
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CNC(=O)c1nc(no1)CCl
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Smiles:
CNC(=O)c1nc(no1)CCl
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: CO[C@@H]1CN(C[C@H]1C(=O)O)CCC(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CO[C@@H]1CN(C[C@H]1C(=O)O)CCC(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__