AA17798
1171919-98-4 | 6-Hydroxy-5-methoxynicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AA17798
ChemicalName
6-Hydroxy-5-methoxynicotinic acid
CasNumber
1171919-98-4
MolecularFormula
C7H7NO4
MolecularWeight
169.13477999999995
MdlNumber
MFCD12401649
Smiles
COc1cc(cnc1O)C(=O)O
Complexity
290
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-0.4
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CatalogNumber: AA17798
ChemicalName: 6-Hydroxy-5-methoxynicotinic acid
CasNumber: 1171919-98-4
MolecularFormula: C7H7NO4
MolecularWeight: 169.13477999999995
MdlNumber: MFCD12401649
Smiles: COc1cc(cnc1O)C(=O)O
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.4
CatalogNumber:
AA17798
ChemicalName:
6-Hydroxy-5-methoxynicotinic acid
CasNumber:
1171919-98-4
MolecularFormula:
C7H7NO4
MolecularWeight:
169.13477999999995
MdlNumber:
MFCD12401649
Smiles:
COc1cc(cnc1O)C(=O)O
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.4
CatalogNumber: AA17799
ChemicalName: Methyl 3-(5,6-dimethoxypyridin-3-yl)acrylate
CasNumber: 1171919-91-7
MolecularFormula: C11H13NO4
MolecularWeight: 223.2252
MdlNumber: MFCD12401640
Smiles: COC(=O)C=Cc1cnc(c(c1)OC)OC
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 1.4
CatalogNumber:
AA17799
ChemicalName:
Methyl 3-(5,6-dimethoxypyridin-3-yl)acrylate
CasNumber:
1171919-91-7
MolecularFormula:
C11H13NO4
MolecularWeight:
223.2252
MdlNumber:
MFCD12401640
Smiles:
COC(=O)C=Cc1cnc(c(c1)OC)OC
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(CNC(=O)OC(C)(C)C)cnc1OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(CNC(=O)OC(C)(C)C)cnc1OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA17801
ChemicalName: 2-Chloro-4-iodonicotinonitrile
CasNumber: 1171919-75-7
MolecularFormula: C6H2ClIN2
MolecularWeight: 264.451
MdlNumber: MFCD12401632
Smiles: N#Cc1c(I)ccnc1Cl
Complexity: 164
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
AA17801
ChemicalName:
2-Chloro-4-iodonicotinonitrile
CasNumber:
1171919-75-7
MolecularFormula:
C6H2ClIN2
MolecularWeight:
264.451
MdlNumber:
MFCD12401632
Smiles:
N#Cc1c(I)ccnc1Cl
Complexity:
164
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2