AH56460
845552-56-9 | 2-[(tert-Butyloxycarbonyl)]-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AH56460
ChemicalName
2-[(tert-Butyloxycarbonyl)]-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CasNumber
845552-56-9
MolecularFormula
C15H19NO5
MolecularWeight
293.3151
MdlNumber
MFCD12756749
Smiles
OC(=O)C1Cc2cc(O)ccc2CN1C(=O)OC(C)(C)C
Complexity
417
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.9
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CatalogNumber: AH56460
ChemicalName: 2-[(tert-Butyloxycarbonyl)]-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CasNumber: 845552-56-9
MolecularFormula: C15H19NO5
MolecularWeight: 293.3151
MdlNumber: MFCD12756749
Smiles: OC(=O)C1Cc2cc(O)ccc2CN1C(=O)OC(C)(C)C
Complexity: 417
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.9
CatalogNumber:
AH56460
ChemicalName:
2-[(tert-Butyloxycarbonyl)]-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CasNumber:
845552-56-9
MolecularFormula:
C15H19NO5
MolecularWeight:
293.3151
MdlNumber:
MFCD12756749
Smiles:
OC(=O)C1Cc2cc(O)ccc2CN1C(=O)OC(C)(C)C
Complexity:
417
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.9
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MolecularFormula: __
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Smiles: NC1CCCc2c1[nH]c1c2cccc1.Cl
Complexity: __
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RotatableBondCount: __
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Smiles:
NC1CCCc2c1[nH]c1c2cccc1.Cl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: N#Cc1cccc2c1CCO2
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__
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Smiles:
N#Cc1cccc2c1CCO2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
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__
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Smiles: Brc1ccc(cc1)c1nc(Cl)nc(n1)c1ccc(cc1)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(cc1)c1nc(Cl)nc(n1)c1ccc(cc1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__