AA69396
142074-49-5 | 2-(Ethoxycarbonyl)isonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AA69396
ChemicalName
2-(Ethoxycarbonyl)isonicotinic acid
CasNumber
142074-49-5
MolecularFormula
C9H9NO4
MolecularWeight
195.1721
MdlNumber
MFCD08064021
Smiles
CCOC(=O)c1cc(ccn1)C(=O)O
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.9
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CatalogNumber: AA69396
ChemicalName: 2-(Ethoxycarbonyl)isonicotinic acid
CasNumber: 142074-49-5
MolecularFormula: C9H9NO4
MolecularWeight: 195.1721
MdlNumber: MFCD08064021
Smiles: CCOC(=O)c1cc(ccn1)C(=O)O
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.9
CatalogNumber:
AA69396
ChemicalName:
2-(Ethoxycarbonyl)isonicotinic acid
CasNumber:
142074-49-5
MolecularFormula:
C9H9NO4
MolecularWeight:
195.1721
MdlNumber:
MFCD08064021
Smiles:
CCOC(=O)c1cc(ccn1)C(=O)O
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@@H](OCCN=[N+]=[N-])[C@@H]([C@H]([C@@H]1O)O)NC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC[C@H]1O[C@@H](OCCN=[N+]=[N-])[C@@H]([C@H]([C@@H]1O)O)NC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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MolecularFormula: __
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Smiles: Fc1cc(ccc1Oc1ccccc1)C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
Fc1cc(ccc1Oc1ccccc1)C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: Brc1ccc2c(c1)c(C)c(s2)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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:
Brc1ccc2c(c1)c(C)c(s2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__