AD52147
2881-83-6 | Ethyl 3-(4-methoxyphenyl)-3-oxopropanoate
Manufacturer: A2B Chem
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CatalogNumber
AD52147
ChemicalName
Ethyl 3-(4-methoxyphenyl)-3-oxopropanoate
CasNumber
2881-83-6
MolecularFormula
C12H14O4
MolecularWeight
222.23716000000002
MdlNumber
MFCD00449636
Smiles
CCOC(=O)CC(=O)c1ccc(cc1)OC
NscNumber
69701
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
1.8
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CatalogNumber: AD52147
ChemicalName: Ethyl 3-(4-methoxyphenyl)-3-oxopropanoate
CasNumber: 2881-83-6
MolecularFormula: C12H14O4
MolecularWeight: 222.23716000000002
MdlNumber: MFCD00449636
Smiles: CCOC(=O)CC(=O)c1ccc(cc1)OC
NscNumber: 69701
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.8
CatalogNumber:
AD52147
ChemicalName:
Ethyl 3-(4-methoxyphenyl)-3-oxopropanoate
CasNumber:
2881-83-6
MolecularFormula:
C12H14O4
MolecularWeight:
222.23716000000002
MdlNumber:
MFCD00449636
Smiles:
CCOC(=O)CC(=O)c1ccc(cc1)OC
NscNumber:
69701
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.8
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Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(S)nc2c1ncnc2N
NscNumber: __
Complexity: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(S)nc2c1ncnc2N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MdlNumber: __
Smiles: OC(=O)CON=C(c1cccs1)C
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)CON=C(c1cccs1)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: COc1cc2nc(sc2cc1N)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc2nc(sc2cc1N)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__