AH85887
911227-79-7 | tert-Butyl 5-hydroxy-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AH85887
ChemicalName
tert-Butyl 5-hydroxy-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate
CasNumber
911227-79-7
MolecularFormula
C18H23NO5
MolecularWeight
333.3789
MdlNumber
MFCD09951999
Smiles
O=C(N1CCC2(CC1)CC(=O)c1c(O2)cccc1O)OC(C)(C)C
Complexity
504
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AH85887
ChemicalName: tert-Butyl 5-hydroxy-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate
CasNumber: 911227-79-7
MolecularFormula: C18H23NO5
MolecularWeight: 333.3789
MdlNumber: MFCD09951999
Smiles: O=C(N1CCC2(CC1)CC(=O)c1c(O2)cccc1O)OC(C)(C)C
Complexity: 504
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AH85887
ChemicalName:
tert-Butyl 5-hydroxy-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate
CasNumber:
911227-79-7
MolecularFormula:
C18H23NO5
MolecularWeight:
333.3789
MdlNumber:
MFCD09951999
Smiles:
O=C(N1CCC2(CC1)CC(=O)c1c(O2)cccc1O)OC(C)(C)C
Complexity:
504
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: COc1cc(OC)ccc1c1c(C)[nH]nc1N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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MolecularFormula:
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Smiles:
COc1cc(OC)ccc1c1c(C)[nH]nc1N
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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Xlogp3:
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CatalogNumber: AH85890
ChemicalName: (S)-3-Cyanopiperidine hydrochloride
CasNumber: 915226-72-1
MolecularFormula: C6H11ClN2
MolecularWeight: 146.61793999999998
MdlNumber: MFCD23106073
Smiles: N#C[C@H]1CCCNC1.Cl
Complexity: 111
Covalently-bondedUnitCount: 2
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AH85890
ChemicalName:
(S)-3-Cyanopiperidine hydrochloride
CasNumber:
915226-72-1
MolecularFormula:
C6H11ClN2
MolecularWeight:
146.61793999999998
MdlNumber:
MFCD23106073
Smiles:
N#C[C@H]1CCCNC1.Cl
Complexity:
111
Covalently-bondedUnitCount:
2
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(=NO)C(=NO)C5(C)C)C)C)C2C1)C)C(=O)OCC6=CC=CC=C6)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(=NO)C(=NO)C5(C)C)C)C)C2C1)C)C(=O)OCC6=CC=CC=C6)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__