AH85572
878798-87-9 | 2-Boc-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AH85572
ChemicalName
2-Boc-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
CasNumber
878798-87-9
MolecularFormula
C15H19NO4
MolecularWeight
277.3157
MdlNumber
MFCD05861549
Smiles
O=C(N1CCc2c(C1)c(ccc2)C(=O)O)OC(C)(C)C
Complexity
388
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AH85572
ChemicalName: 2-Boc-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
CasNumber: 878798-87-9
MolecularFormula: C15H19NO4
MolecularWeight: 277.3157
MdlNumber: MFCD05861549
Smiles: O=C(N1CCc2c(C1)c(ccc2)C(=O)O)OC(C)(C)C
Complexity: 388
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AH85572
ChemicalName:
2-Boc-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
CasNumber:
878798-87-9
MolecularFormula:
C15H19NO4
MolecularWeight:
277.3157
MdlNumber:
MFCD05861549
Smiles:
O=C(N1CCc2c(C1)c(ccc2)C(=O)O)OC(C)(C)C
Complexity:
388
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.2
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Smiles: OC(=O)C(Cc1cc(=O)[nH]c2c1cccc2)N.Cl.Cl.O.O
Complexity: __
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Smiles:
OC(=O)C(Cc1cc(=O)[nH]c2c1cccc2)N.Cl.Cl.O.O
Complexity:
__
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Smiles: CCCCCCCOc1ccc(cc1C(F)(F)F)CCC(CO)(CO)N.Cl
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Smiles:
CCCCCCCOc1ccc(cc1C(F)(F)F)CCC(CO)(CO)N.Cl
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Smiles: CCCC[C@H](C(=O)OCc1ccc(cc1)[N+](=O)[O-])N.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCCC[C@H](C(=O)OCc1ccc(cc1)[N+](=O)[O-])N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__