AA56252
1226205-64-6 | 2-(4-methylphenyl)isonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AA56252
ChemicalName
2-(4-methylphenyl)isonicotinic acid
CasNumber
1226205-64-6
MolecularFormula
C13H11NO2
MolecularWeight
213.2319
MdlNumber
MFCD14666476
Smiles
Cc1ccc(cc1)c1nccc(c1)C(=O)O
Complexity
246
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AA56252
ChemicalName: 2-(4-methylphenyl)isonicotinic acid
CasNumber: 1226205-64-6
MolecularFormula: C13H11NO2
MolecularWeight: 213.2319
MdlNumber: MFCD14666476
Smiles: Cc1ccc(cc1)c1nccc(c1)C(=O)O
Complexity: 246
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AA56252
ChemicalName:
2-(4-methylphenyl)isonicotinic acid
CasNumber:
1226205-64-6
MolecularFormula:
C13H11NO2
MolecularWeight:
213.2319
MdlNumber:
MFCD14666476
Smiles:
Cc1ccc(cc1)c1nccc(c1)C(=O)O
Complexity:
246
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cccc(c1)c1ccc(nc1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cccc(c1)c1ccc(nc1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cccc(c1)c1cncc(c1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cccc(c1)c1cncc(c1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA56256
ChemicalName: Methoxatin disodium salt
CasNumber: 122628-50-6
MolecularFormula: C14H4N2Na2O8
MolecularWeight: 374.1697
MdlNumber: MFCD00151711
Smiles: OC(=O)c1cc(nc2c1-c1[nH]c(cc1C(=O)C2=O)C(=O)[O-])C(=O)[O-].[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AA56256
ChemicalName:
Methoxatin disodium salt
CasNumber:
122628-50-6
MolecularFormula:
C14H4N2Na2O8
MolecularWeight:
374.1697
MdlNumber:
MFCD00151711
Smiles:
OC(=O)c1cc(nc2c1-c1[nH]c(cc1C(=O)C2=O)C(=O)[O-])C(=O)[O-].[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__