AB49743
3057-74-7 | L-Aspartic acid 4-tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB49743
ChemicalName
L-Aspartic acid 4-tert-butyl ester
CasNumber
3057-74-7
MolecularFormula
C8H15NO4
MolecularWeight
189.209
MdlNumber
MFCD06809742
Smiles
N[C@H](C(=O)O)CC(=O)OC(C)(C)C
Complexity
207
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
-1.4
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CatalogNumber: AB49743
ChemicalName: L-Aspartic acid 4-tert-butyl ester
CasNumber: 3057-74-7
MolecularFormula: C8H15NO4
MolecularWeight: 189.209
MdlNumber: MFCD06809742
Smiles: N[C@H](C(=O)O)CC(=O)OC(C)(C)C
Complexity: 207
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: -1.4
CatalogNumber:
AB49743
ChemicalName:
L-Aspartic acid 4-tert-butyl ester
CasNumber:
3057-74-7
MolecularFormula:
C8H15NO4
MolecularWeight:
189.209
MdlNumber:
MFCD06809742
Smiles:
N[C@H](C(=O)O)CC(=O)OC(C)(C)C
Complexity:
207
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
-1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1c1ccc(cc1)F
Complexity: __
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Smiles:
Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1c1ccc(cc1)F
Complexity:
__
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__
DefinedAtomStereocenterCount:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].[K+].[K+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-].[K+].[K+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__