AA24131
1194376-31-2 | tert-Butyl 3-cyano-3-hydroxypyrrolidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA24131
ChemicalName
tert-Butyl 3-cyano-3-hydroxypyrrolidine-1-carboxylate
CasNumber
1194376-31-2
MolecularFormula
C10H16N2O3
MolecularWeight
212.2456
MdlNumber
MFCD11878020
Smiles
N#CC1(O)CCN(C1)C(=O)OC(C)(C)C
Complexity
312
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.2
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CatalogNumber: AA24131
ChemicalName: tert-Butyl 3-cyano-3-hydroxypyrrolidine-1-carboxylate
CasNumber: 1194376-31-2
MolecularFormula: C10H16N2O3
MolecularWeight: 212.2456
MdlNumber: MFCD11878020
Smiles: N#CC1(O)CCN(C1)C(=O)OC(C)(C)C
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.2
CatalogNumber:
AA24131
ChemicalName:
tert-Butyl 3-cyano-3-hydroxypyrrolidine-1-carboxylate
CasNumber:
1194376-31-2
MolecularFormula:
C10H16N2O3
MolecularWeight:
212.2456
MdlNumber:
MFCD11878020
Smiles:
N#CC1(O)CCN(C1)C(=O)OC(C)(C)C
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.2
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Smiles: c1ccc(cc1)CN1CC2(C1)CNCC2
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Smiles:
c1ccc(cc1)CN1CC2(C1)CNCC2
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__
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Smiles: N1CC2(C1)CN(C2)Cc1ccccc1.Cl.Cl
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Smiles:
N1CC2(C1)CN(C2)Cc1ccccc1.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: FC(c1ccc2c(c1)ccnc2)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(c1ccc2c(c1)ccnc2)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__