AB03129
183591-72-2 | 3-Carboxymethyl-piperazine-1-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB03129
ChemicalName
3-Carboxymethyl-piperazine-1-carboxylic acid tert-butyl ester
CasNumber
183591-72-2
MolecularFormula
C11H20N2O4
MolecularWeight
244.2875
MdlNumber
MFCD03001351
Smiles
OC(=O)CC1NCCN(C1)C(=O)OC(C)(C)C
Complexity
298
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
-2.3
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CatalogNumber: AB03129
ChemicalName: 3-Carboxymethyl-piperazine-1-carboxylic acid tert-butyl ester
CasNumber: 183591-72-2
MolecularFormula: C11H20N2O4
MolecularWeight: 244.2875
MdlNumber: MFCD03001351
Smiles: OC(=O)CC1NCCN(C1)C(=O)OC(C)(C)C
Complexity: 298
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: -2.3
CatalogNumber:
AB03129
ChemicalName:
3-Carboxymethyl-piperazine-1-carboxylic acid tert-butyl ester
CasNumber:
183591-72-2
MolecularFormula:
C11H20N2O4
MolecularWeight:
244.2875
MdlNumber:
MFCD03001351
Smiles:
OC(=O)CC1NCCN(C1)C(=O)OC(C)(C)C
Complexity:
298
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
-2.3
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Smiles: c1ccc(cc1)C=C1c2ccccc2-c2c1cccc2
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Smiles:
c1ccc(cc1)C=C1c2ccccc2-c2c1cccc2
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Smiles: Clc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
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Smiles:
Clc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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UndefinedAtomStereocenterCount:
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Smiles: Cc1cccc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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:
Cc1cccc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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