AE99437
183742-33-8 | tert-butyl 3-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE99437
ChemicalName
tert-butyl 3-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate
CasNumber
183742-33-8
MolecularFormula
C12H22N2O4
MolecularWeight
258.3141
MdlNumber
MFCD01861213
Smiles
COC(=O)CC1NCCN(C1)C(=O)OC(C)(C)C
Complexity
312
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
0.3
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CatalogNumber: AE99437
ChemicalName: tert-butyl 3-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate
CasNumber: 183742-33-8
MolecularFormula: C12H22N2O4
MolecularWeight: 258.3141
MdlNumber: MFCD01861213
Smiles: COC(=O)CC1NCCN(C1)C(=O)OC(C)(C)C
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.3
CatalogNumber:
AE99437
ChemicalName:
tert-butyl 3-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate
CasNumber:
183742-33-8
MolecularFormula:
C12H22N2O4
MolecularWeight:
258.3141
MdlNumber:
MFCD01861213
Smiles:
COC(=O)CC1NCCN(C1)C(=O)OC(C)(C)C
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.3
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Smiles: CC(=O)Nc1cc(F)c(cc1[N+](=O)[O-])F
Complexity: __
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Smiles:
CC(=O)Nc1cc(F)c(cc1[N+](=O)[O-])F
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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Smiles: NCc1ccc(cc1)C(=O)OC
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Smiles:
NCc1ccc(cc1)C(=O)OC
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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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UndefinedAtomStereocenterCount:
__
Xlogp3:
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Smiles: [O-][N+](=O)c1c([N+](=O)[O-])c(C)c(c(c1C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1c([N+](=O)[O-])c(C)c(c(c1C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__