AD04898
91940-86-2 | 2-Ethoxyisonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AD04898
ChemicalName
2-Ethoxyisonicotinic acid
CasNumber
91940-86-2
MolecularFormula
C8H9NO3
MolecularWeight
167.162
MdlNumber
MFCD04115719
Smiles
CCOc1cc(ccn1)C(=O)O
Complexity
160
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AD04898
ChemicalName: 2-Ethoxyisonicotinic acid
CasNumber: 91940-86-2
MolecularFormula: C8H9NO3
MolecularWeight: 167.162
MdlNumber: MFCD04115719
Smiles: CCOc1cc(ccn1)C(=O)O
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AD04898
ChemicalName:
2-Ethoxyisonicotinic acid
CasNumber:
91940-86-2
MolecularFormula:
C8H9NO3
MolecularWeight:
167.162
MdlNumber:
MFCD04115719
Smiles:
CCOc1cc(ccn1)C(=O)O
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: AD04899
ChemicalName: 2-(tert-Butyl)isonicotinic acid
CasNumber: 91940-84-0
MolecularFormula: C10H13NO2
MolecularWeight: 179.21571999999998
MdlNumber: MFCD04113815
Smiles: OC(=O)c1ccnc(c1)C(C)(C)C
Complexity: 196
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AD04899
ChemicalName:
2-(tert-Butyl)isonicotinic acid
CasNumber:
91940-84-0
MolecularFormula:
C10H13NO2
MolecularWeight:
179.21571999999998
MdlNumber:
MFCD04113815
Smiles:
OC(=O)c1ccnc(c1)C(C)(C)C
Complexity:
196
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
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Smiles: NCc1ncc(cn1)C
Complexity: __
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Xlogp3: __
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Smiles:
NCc1ncc(cn1)C
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RotatableBondCount:
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Smiles: CC1NC1C
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Smiles:
CC1NC1C
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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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