AI08660
111185-66-1 | 3-Ethyl 8-methyl 4-oxo-1H-quinoline-3,8-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI08660
ChemicalName
3-Ethyl 8-methyl 4-oxo-1H-quinoline-3,8-dicarboxylate
CasNumber
111185-66-1
MolecularFormula
C14H13NO5
MolecularWeight
275.2567
MdlNumber
MFCD02224878
Smiles
CCOC(=O)c1c[nH]c2c(c1=O)cccc2C(=O)OC
Complexity
457
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
1.8
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CatalogNumber: AI08660
ChemicalName: 3-Ethyl 8-methyl 4-oxo-1H-quinoline-3,8-dicarboxylate
CasNumber: 111185-66-1
MolecularFormula: C14H13NO5
MolecularWeight: 275.2567
MdlNumber: MFCD02224878
Smiles: CCOC(=O)c1c[nH]c2c(c1=O)cccc2C(=O)OC
Complexity: 457
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.8
CatalogNumber:
AI08660
ChemicalName:
3-Ethyl 8-methyl 4-oxo-1H-quinoline-3,8-dicarboxylate
CasNumber:
111185-66-1
MolecularFormula:
C14H13NO5
MolecularWeight:
275.2567
MdlNumber:
MFCD02224878
Smiles:
CCOC(=O)c1c[nH]c2c(c1=O)cccc2C(=O)OC
Complexity:
457
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1nnn(c1)Cc1cccc2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1nnn(c1)Cc1cccc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI08662
ChemicalName: 3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CasNumber: 1112209-24-1
MolecularFormula: C13H16BFO3
MolecularWeight: 250.0737
MdlNumber: MFCD18455287
Smiles: O=Cc1cc(F)cc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 316
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AI08662
ChemicalName:
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CasNumber:
1112209-24-1
MolecularFormula:
C13H16BFO3
MolecularWeight:
250.0737
MdlNumber:
MFCD18455287
Smiles:
O=Cc1cc(F)cc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
316
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cc(ccc1Cl)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cc(ccc1Cl)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__