AB00416
177947-96-5 | 1-Boc-3-azetidinecarboxaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB00416
ChemicalName
1-Boc-3-azetidinecarboxaldehyde
CasNumber
177947-96-5
MolecularFormula
C9H15NO3
MolecularWeight
185.2203
MdlNumber
MFCD06656142
Smiles
O=CC1CN(C1)C(=O)OC(C)(C)C
Complexity
213
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
0.4
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CatalogNumber: AB00416
ChemicalName: 1-Boc-3-azetidinecarboxaldehyde
CasNumber: 177947-96-5
MolecularFormula: C9H15NO3
MolecularWeight: 185.2203
MdlNumber: MFCD06656142
Smiles: O=CC1CN(C1)C(=O)OC(C)(C)C
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 0.4
CatalogNumber:
AB00416
ChemicalName:
1-Boc-3-azetidinecarboxaldehyde
CasNumber:
177947-96-5
MolecularFormula:
C9H15NO3
MolecularWeight:
185.2203
MdlNumber:
MFCD06656142
Smiles:
O=CC1CN(C1)C(=O)OC(C)(C)C
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: ONc1nc2ccccc2[nH]c1=O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
ONc1nc2ccccc2[nH]c1=O
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__
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Smiles: NCCCCC1NC(=O)C(NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(O)C)C(=O)NC(C(=O)O)C(O)C)NC(=O)C(Cc1ccccc1)NC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)Cc1c[nH]c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
NCCCCC1NC(=O)C(NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CSSCC(NC(=O)C(NC1=O)C(O)C)C(=O)NC(C(=O)O)C(O)C)NC(=O)C(Cc1ccccc1)NC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)Cc1c[nH]c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C1[C@@H](N)Cc2c(N1O)cccc2.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C1[C@@H](N)Cc2c(N1O)cccc2.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__