AB67701
26892-90-0 | 4-Hydroxyquinoline-3-carboxylic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB67701
ChemicalName
4-Hydroxyquinoline-3-carboxylic acid ethyl ester
CasNumber
26892-90-0
MolecularFormula
C12H11NO3
MolecularWeight
217.2206
MdlNumber
MFCD00173406
Smiles
CCOC(=O)c1c[nH]c2c(c1=O)cccc2
NscNumber
4345
Complexity
335
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2
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CatalogNumber: AB67701
ChemicalName: 4-Hydroxyquinoline-3-carboxylic acid ethyl ester
CasNumber: 26892-90-0
MolecularFormula: C12H11NO3
MolecularWeight: 217.2206
MdlNumber: MFCD00173406
Smiles: CCOC(=O)c1c[nH]c2c(c1=O)cccc2
NscNumber: 4345
Complexity: 335
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AB67701
ChemicalName:
4-Hydroxyquinoline-3-carboxylic acid ethyl ester
CasNumber:
26892-90-0
MolecularFormula:
C12H11NO3
MolecularWeight:
217.2206
MdlNumber:
MFCD00173406
Smiles:
CCOC(=O)c1c[nH]c2c(c1=O)cccc2
NscNumber:
4345
Complexity:
335
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1c(cnc2c1ccs2)C#N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1c(cnc2c1ccs2)C#N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB67703
ChemicalName: 4-Hydroxythiobenzamide
CasNumber: 25984-63-8
MolecularFormula: C7H7NOS
MolecularWeight: 153.2016
MdlNumber: MFCD04973332
Smiles: NC(=S)c1ccc(cc1)O
NscNumber: __
Complexity: 130
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AB67703
ChemicalName:
4-Hydroxythiobenzamide
CasNumber:
25984-63-8
MolecularFormula:
C7H7NOS
MolecularWeight:
153.2016
MdlNumber:
MFCD04973332
Smiles:
NC(=S)c1ccc(cc1)O
NscNumber:
__
Complexity:
130
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: AB67704
ChemicalName: 4'-Hydroxyvalerophenone
CasNumber: 2589-71-1
MolecularFormula: C11H14O2
MolecularWeight: 178.2277
MdlNumber: MFCD00009719
Smiles: CCCCC(=O)c1ccc(cc1)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB67704
ChemicalName:
4'-Hydroxyvalerophenone
CasNumber:
2589-71-1
MolecularFormula:
C11H14O2
MolecularWeight:
178.2277
MdlNumber:
MFCD00009719
Smiles:
CCCCC(=O)c1ccc(cc1)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__