AB33145
27834-99-7 | Ethyl 3-(3-methoxyphenyl)-3-oxopropanoate
Manufacturer: A2B Chem
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CatalogNumber
AB33145
ChemicalName
Ethyl 3-(3-methoxyphenyl)-3-oxopropanoate
CasNumber
27834-99-7
MolecularFormula
C12H14O4
MolecularWeight
222.2372
MdlNumber
MFCD00086704
Smiles
CCOC(=O)CC(=O)c1cccc(c1)OC
Complexity
249
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
6
Xlogp3
1.8
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CatalogNumber: AB33145
ChemicalName: Ethyl 3-(3-methoxyphenyl)-3-oxopropanoate
CasNumber: 27834-99-7
MolecularFormula: C12H14O4
MolecularWeight: 222.2372
MdlNumber: MFCD00086704
Smiles: CCOC(=O)CC(=O)c1cccc(c1)OC
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: 1.8
CatalogNumber:
AB33145
ChemicalName:
Ethyl 3-(3-methoxyphenyl)-3-oxopropanoate
CasNumber:
27834-99-7
MolecularFormula:
C12H14O4
MolecularWeight:
222.2372
MdlNumber:
MFCD00086704
Smiles:
CCOC(=O)CC(=O)c1cccc(c1)OC
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
1.8
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Smiles: CCCc1nn(c(c1CC)N)c1cccnc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
CCCc1nn(c(c1CC)N)c1cccnc1
Complexity:
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Smiles: CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2.OC(=O)CCC(=O)O
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Smiles:
CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2.OC(=O)CCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
__
Xlogp3:
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Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__