AA30287
125347-83-3 | Boc-DL-proline ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA30287
ChemicalName
Boc-DL-proline ethyl ester
CasNumber
125347-83-3
MolecularFormula
C12H21NO4
MolecularWeight
243.2994
MdlNumber
MFCD06656725
Smiles
CCOC(=O)C1CCCN1C(=O)OC(C)(C)C
Complexity
295
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
1.9
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CatalogNumber: AA30287
ChemicalName: Boc-DL-proline ethyl ester
CasNumber: 125347-83-3
MolecularFormula: C12H21NO4
MolecularWeight: 243.2994
MdlNumber: MFCD06656725
Smiles: CCOC(=O)C1CCCN1C(=O)OC(C)(C)C
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.9
CatalogNumber:
AA30287
ChemicalName:
Boc-DL-proline ethyl ester
CasNumber:
125347-83-3
MolecularFormula:
C12H21NO4
MolecularWeight:
243.2994
MdlNumber:
MFCD06656725
Smiles:
CCOC(=O)C1CCCN1C(=O)OC(C)(C)C
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.9
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
CCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
__
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Smiles: O=Cc1coc2c(c1=O)cccc2[N+](=O)[O-]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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MolecularFormula:
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Smiles:
O=Cc1coc2c(c1=O)cccc2[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: Clc1nc(Cl)c2c(n1)onc2C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Clc1nc(Cl)c2c(n1)onc2C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__