AF85812
39497-01-3 | Methyl 2-oxo-1,2-dihydroquinoline-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF85812
ChemicalName
Methyl 2-oxo-1,2-dihydroquinoline-4-carboxylate
CasNumber
39497-01-3
MolecularFormula
C11H9NO3
MolecularWeight
203.1941
MdlNumber
MFCD01013783
Smiles
COC(=O)c1cc(=O)[nH]c2c1cccc2
Complexity
322
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.9
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CatalogNumber: AF85812
ChemicalName: Methyl 2-oxo-1,2-dihydroquinoline-4-carboxylate
CasNumber: 39497-01-3
MolecularFormula: C11H9NO3
MolecularWeight: 203.1941
MdlNumber: MFCD01013783
Smiles: COC(=O)c1cc(=O)[nH]c2c1cccc2
Complexity: 322
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AF85812
ChemicalName:
Methyl 2-oxo-1,2-dihydroquinoline-4-carboxylate
CasNumber:
39497-01-3
MolecularFormula:
C11H9NO3
MolecularWeight:
203.1941
MdlNumber:
MFCD01013783
Smiles:
COC(=O)c1cc(=O)[nH]c2c1cccc2
Complexity:
322
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.9
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Smiles: CCOC(=O)Cc1cc2c(o1)ccc(c2)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCOC(=O)Cc1cc2c(o1)ccc(c2)Br
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=C(N1CCC(CC1)c1scc(n1)C(=O)O)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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Smiles:
O=C(N1CCC(CC1)c1scc(n1)C(=O)O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cccnc1CC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cccnc1CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__