AB68494
566198-28-5 | 5-(4-Formylphenyl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB68494
ChemicalName
5-(4-Formylphenyl)nicotinic acid
CasNumber
566198-28-5
MolecularFormula
C13H9NO3
MolecularWeight
227.2155
MdlNumber
MFCD05664413
Smiles
O=Cc1ccc(cc1)c1cncc(c1)C(=O)O
Complexity
284
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AB68494
ChemicalName: 5-(4-Formylphenyl)nicotinic acid
CasNumber: 566198-28-5
MolecularFormula: C13H9NO3
MolecularWeight: 227.2155
MdlNumber: MFCD05664413
Smiles: O=Cc1ccc(cc1)c1cncc(c1)C(=O)O
Complexity: 284
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AB68494
ChemicalName:
5-(4-Formylphenyl)nicotinic acid
CasNumber:
566198-28-5
MolecularFormula:
C13H9NO3
MolecularWeight:
227.2155
MdlNumber:
MFCD05664413
Smiles:
O=Cc1ccc(cc1)c1cncc(c1)C(=O)O
Complexity:
284
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: AB68495
ChemicalName: 5-(4-Hydroxybenzyl)-2,4-thiazolidinedione
CasNumber: 74772-78-4
MolecularFormula: C10H9NO3S
MolecularWeight: 223.24835999999996
MdlNumber: MFCD00754499
Smiles: O=C1NC(=O)SC1Cc1ccc(cc1)O
Complexity: 274
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AB68495
ChemicalName:
5-(4-Hydroxybenzyl)-2,4-thiazolidinedione
CasNumber:
74772-78-4
MolecularFormula:
C10H9NO3S
MolecularWeight:
223.24835999999996
MdlNumber:
MFCD00754499
Smiles:
O=C1NC(=O)SC1Cc1ccc(cc1)O
Complexity:
274
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: AB68496
ChemicalName: 4-Hydroxyphenyl hydantoin
CasNumber: 2420-17-9
MolecularFormula: C9H8N2O3
MolecularWeight: 192.17141999999998
MdlNumber: MFCD00044002
Smiles: O=C1NC(=O)NC1c1ccc(cc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB68496
ChemicalName:
4-Hydroxyphenyl hydantoin
CasNumber:
2420-17-9
MolecularFormula:
C9H8N2O3
MolecularWeight:
192.17141999999998
MdlNumber:
MFCD00044002
Smiles:
O=C1NC(=O)NC1c1ccc(cc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB68497
ChemicalName: 5-(4-Hydroxyphenyl)isoxazole-3-carboxylic acid
CasNumber: 33282-15-4
MolecularFormula: C10H7NO4
MolecularWeight: 205.1669
MdlNumber: MFCD05237205
Smiles: Oc1ccc(cc1)c1onc(c1)C(=O)O
Complexity: 238
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AB68497
ChemicalName:
5-(4-Hydroxyphenyl)isoxazole-3-carboxylic acid
CasNumber:
33282-15-4
MolecularFormula:
C10H7NO4
MolecularWeight:
205.1669
MdlNumber:
MFCD05237205
Smiles:
Oc1ccc(cc1)c1onc(c1)C(=O)O
Complexity:
238
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.6