AH84410
887973-52-6 | 5-(4-Methoxyphenyl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AH84410
ChemicalName
5-(4-Methoxyphenyl)nicotinic acid
CasNumber
887973-52-6
MolecularFormula
C13H11NO3
MolecularWeight
229.2313
MdlNumber
MFCD06254785
Smiles
COc1ccc(cc1)c1cncc(c1)C(=O)O
Complexity
261
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2
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CatalogNumber: AH84410
ChemicalName: 5-(4-Methoxyphenyl)nicotinic acid
CasNumber: 887973-52-6
MolecularFormula: C13H11NO3
MolecularWeight: 229.2313
MdlNumber: MFCD06254785
Smiles: COc1ccc(cc1)c1cncc(c1)C(=O)O
Complexity: 261
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AH84410
ChemicalName:
5-(4-Methoxyphenyl)nicotinic acid
CasNumber:
887973-52-6
MolecularFormula:
C13H11NO3
MolecularWeight:
229.2313
MdlNumber:
MFCD06254785
Smiles:
COc1ccc(cc1)c1cncc(c1)C(=O)O
Complexity:
261
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cccc(c1)c1ccc(cc1)C(C)(C)C
Complexity: 232
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1cccc(c1)c1ccc(cc1)C(C)(C)C
Complexity:
232
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1ccc(s1)c1cccc(c1)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1ccc(s1)c1cccc(c1)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AH84413
ChemicalName: Methyl 4-(2-cyanophenyl)benzoate
CasNumber: 89900-98-1
MolecularFormula: C15H11NO2
MolecularWeight: 237.2533
MdlNumber: MFCD05981835
Smiles: COC(=O)c1ccc(cc1)c1ccccc1C#N
Complexity: 336
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AH84413
ChemicalName:
Methyl 4-(2-cyanophenyl)benzoate
CasNumber:
89900-98-1
MolecularFormula:
C15H11NO2
MolecularWeight:
237.2533
MdlNumber:
MFCD05981835
Smiles:
COC(=O)c1ccc(cc1)c1ccccc1C#N
Complexity:
336
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3.1