AA81527
158984-83-9 | tert-Butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA81527
ChemicalName
tert-Butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate
CasNumber
158984-83-9
MolecularFormula
C14H19NO3
MolecularWeight
249.3056
MdlNumber
MFCD08275034
Smiles
Oc1ccc2c(c1)CCN(C2)C(=O)OC(C)(C)C
Complexity
311
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AA81527
ChemicalName: tert-Butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate
CasNumber: 158984-83-9
MolecularFormula: C14H19NO3
MolecularWeight: 249.3056
MdlNumber: MFCD08275034
Smiles: Oc1ccc2c(c1)CCN(C2)C(=O)OC(C)(C)C
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AA81527
ChemicalName:
tert-Butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate
CasNumber:
158984-83-9
MolecularFormula:
C14H19NO3
MolecularWeight:
249.3056
MdlNumber:
MFCD08275034
Smiles:
Oc1ccc2c(c1)CCN(C2)C(=O)OC(C)(C)C
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.3
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Smiles: OCC1=CCN(CC1)Cc1ccccc1
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Smiles:
OCC1=CCN(CC1)Cc1ccccc1
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Smiles: N1CCC(=CC1)c1cc2c(o1)cccc2
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N1CCC(=CC1)c1cc2c(o1)cccc2
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Smiles: CCCCCCCCCCCCC/C=C/[C@H]([C@@H](NC(=O)CCCCCCC)COP(=O)(O)O)O
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Smiles:
CCCCCCCCCCCCC/C=C/[C@H]([C@@H](NC(=O)CCCCCCC)COP(=O)(O)O)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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