AE27182
105404-33-9 | Methyl 2-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE27182
ChemicalName
Methyl 2-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate
CasNumber
105404-33-9
MolecularFormula
C11H11NO3
MolecularWeight
205.20994000000002
MdlNumber
MFCD20257640
Smiles
COC(=O)C1Cc2ccccc2NC1=O
Complexity
277
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.2
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CatalogNumber: AE27182
ChemicalName: Methyl 2-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate
CasNumber: 105404-33-9
MolecularFormula: C11H11NO3
MolecularWeight: 205.20994000000002
MdlNumber: MFCD20257640
Smiles: COC(=O)C1Cc2ccccc2NC1=O
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.2
CatalogNumber:
AE27182
ChemicalName:
Methyl 2-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate
CasNumber:
105404-33-9
MolecularFormula:
C11H11NO3
MolecularWeight:
205.20994000000002
MdlNumber:
MFCD20257640
Smiles:
COC(=O)C1Cc2ccccc2NC1=O
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.2
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Smiles: O=Cc1c(C)c(OC)c(c(c1OC)C)C
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Smiles:
O=Cc1c(C)c(OC)c(c(c1OC)C)C
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__
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Xlogp3:
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Smiles: COC(=O)CC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
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__
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Smiles:
COC(=O)CC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__