AI46770
298681-10-4 | tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI46770
ChemicalName
tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate
CasNumber
298681-10-4
MolecularFormula
C9H17NO4
MolecularWeight
203.23557999999997
MdlNumber
MFCD14635712
Smiles
OC1CN(CC1O)C(=O)OC(C)(C)C
Complexity
213
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
-0.4
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CatalogNumber: AI46770
ChemicalName: tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate
CasNumber: 298681-10-4
MolecularFormula: C9H17NO4
MolecularWeight: 203.23557999999997
MdlNumber: MFCD14635712
Smiles: OC1CN(CC1O)C(=O)OC(C)(C)C
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: -0.4
CatalogNumber:
AI46770
ChemicalName:
tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate
CasNumber:
298681-10-4
MolecularFormula:
C9H17NO4
MolecularWeight:
203.23557999999997
MdlNumber:
MFCD14635712
Smiles:
OC1CN(CC1O)C(=O)OC(C)(C)C
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
-0.4
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Smiles: O=C1C2C3C=CC(C2C(=O)N1c1ccccc1C(=O)O)C3
Complexity: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
O=C1C2C3C=CC(C2C(=O)N1c1ccccc1C(=O)O)C3
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
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__
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Smiles: Clc1ccc2c(c1)nc(n2C1CCCCC1)S
Complexity: __
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Smiles:
Clc1ccc2c(c1)nc(n2C1CCCCC1)S
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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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: CCN(c1ccc(cc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccccc1)CC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN(c1ccc(cc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccccc1)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__