AA50658
137401-45-7 | 2-tert-Butoxycarbonylaminomalonic acid monoethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA50658
ChemicalName
2-tert-Butoxycarbonylaminomalonic acid monoethyl ester
CasNumber
137401-45-7
MolecularFormula
C10H17NO6
MolecularWeight
247.2451
MdlNumber
MFCD09835539
Smiles
CCOC(=O)C(C(=O)O)NC(=O)OC(C)(C)C
Complexity
306
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
7
UndefinedAtomStereocenterCount
1
Xlogp3
1
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CatalogNumber: AA50658
ChemicalName: 2-tert-Butoxycarbonylaminomalonic acid monoethyl ester
CasNumber: 137401-45-7
MolecularFormula: C10H17NO6
MolecularWeight: 247.2451
MdlNumber: MFCD09835539
Smiles: CCOC(=O)C(C(=O)O)NC(=O)OC(C)(C)C
Complexity: 306
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 7
UndefinedAtomStereocenterCount: 1
Xlogp3: 1
CatalogNumber:
AA50658
ChemicalName:
2-tert-Butoxycarbonylaminomalonic acid monoethyl ester
CasNumber:
137401-45-7
MolecularFormula:
C10H17NO6
MolecularWeight:
247.2451
MdlNumber:
MFCD09835539
Smiles:
CCOC(=O)C(C(=O)O)NC(=O)OC(C)(C)C
Complexity:
306
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
1
Xlogp3:
1
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RotatableBondCount: __
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RotatableBondCount:
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Smiles: CCCC(C(C(=O)OCC)(C)C)O
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Smiles:
CCCC(C(C(=O)OCC)(C)C)O
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: O=C(C(c1ccccc1)(C)C)c1ccccc1
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HydrogenBondAcceptorCount: __
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__
MolecularFormula:
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Smiles:
O=C(C(c1ccccc1)(C)C)c1ccccc1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__