AE99455
183380-83-8 | Ethyl 3-(4-hydroxy-3-nitrophenyl)propanoate
Manufacturer: A2B Chem
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CatalogNumber
AE99455
ChemicalName
Ethyl 3-(4-hydroxy-3-nitrophenyl)propanoate
CasNumber
183380-83-8
MolecularFormula
C11H13NO5
MolecularWeight
239.2246
MdlNumber
MFCD00089149
Smiles
CCOC(=O)CCc1ccc(c(c1)[N+](=O)[O-])O
Complexity
276
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.5
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CatalogNumber: AE99455
ChemicalName: Ethyl 3-(4-hydroxy-3-nitrophenyl)propanoate
CasNumber: 183380-83-8
MolecularFormula: C11H13NO5
MolecularWeight: 239.2246
MdlNumber: MFCD00089149
Smiles: CCOC(=O)CCc1ccc(c(c1)[N+](=O)[O-])O
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.5
CatalogNumber:
AE99455
ChemicalName:
Ethyl 3-(4-hydroxy-3-nitrophenyl)propanoate
CasNumber:
183380-83-8
MolecularFormula:
C11H13NO5
MolecularWeight:
239.2246
MdlNumber:
MFCD00089149
Smiles:
CCOC(=O)CCc1ccc(c(c1)[N+](=O)[O-])O
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.5
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Smiles: O=C(Nc1cnc(cc1C(=O)O)Cl)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C(Nc1cnc(cc1C(=O)O)Cl)OC(C)(C)C
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HeavyAtomCount:
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ChemicalName: __
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Smiles: O[C@@H]1C[C@@H](c2c1cccc2)O
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Smiles:
O[C@@H]1C[C@@H](c2c1cccc2)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: NNc1ncccc1[N+](=O)[O-]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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:
NNc1ncccc1[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__