AG29792
54614-95-8 | (3-Oxo-butyl)-carbamic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AG29792
ChemicalName
(3-Oxo-butyl)-carbamic acid tert-butyl ester
CasNumber
54614-95-8
MolecularFormula
C9H17NO3
MolecularWeight
187.2362
MdlNumber
MFCD14539579
Smiles
CC(=O)CCNC(=O)OC(C)(C)C
Complexity
194
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
0.6
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CatalogNumber: AG29792
ChemicalName: (3-Oxo-butyl)-carbamic acid tert-butyl ester
CasNumber: 54614-95-8
MolecularFormula: C9H17NO3
MolecularWeight: 187.2362
MdlNumber: MFCD14539579
Smiles: CC(=O)CCNC(=O)OC(C)(C)C
Complexity: 194
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 0.6
CatalogNumber:
AG29792
ChemicalName:
(3-Oxo-butyl)-carbamic acid tert-butyl ester
CasNumber:
54614-95-8
MolecularFormula:
C9H17NO3
MolecularWeight:
187.2362
MdlNumber:
MFCD14539579
Smiles:
CC(=O)CCNC(=O)OC(C)(C)C
Complexity:
194
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
0.6
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Smiles: NNc1c(F)cccc1Cl.Cl
Complexity: __
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
NNc1c(F)cccc1Cl.Cl
Complexity:
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RotatableBondCount:
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Smiles: O=Cc1c(O)ccc2c1ccc(c2)Br
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Smiles:
O=Cc1c(O)ccc2c1ccc(c2)Br
Complexity:
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: C=CCCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity: __
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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:
C=CCCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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