AA96774
181308-56-5 | tert-Butyl cis-4-formylcyclohexylcarbamate
Manufacturer: A2B Chem
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CatalogNumber
AA96774
ChemicalName
tert-Butyl cis-4-formylcyclohexylcarbamate
CasNumber
181308-56-5
MolecularFormula
C12H21NO3
MolecularWeight
227.30003999999997
MdlNumber
MFCD03844599
Smiles
O=C[C@@H]1CC[C@@H](CC1)NC(=O)OC(C)(C)C
Complexity
250
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.7
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CatalogNumber: AA96774
ChemicalName: tert-Butyl cis-4-formylcyclohexylcarbamate
CasNumber: 181308-56-5
MolecularFormula: C12H21NO3
MolecularWeight: 227.30003999999997
MdlNumber: MFCD03844599
Smiles: O=C[C@@H]1CC[C@@H](CC1)NC(=O)OC(C)(C)C
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.7
CatalogNumber:
AA96774
ChemicalName:
tert-Butyl cis-4-formylcyclohexylcarbamate
CasNumber:
181308-56-5
MolecularFormula:
C12H21NO3
MolecularWeight:
227.30003999999997
MdlNumber:
MFCD03844599
Smiles:
O=C[C@@H]1CC[C@@H](CC1)NC(=O)OC(C)(C)C
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.7
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Smiles: OC(=O)[C@@H]1CCC(=O)N1c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OC(=O)[C@@H]1CCC(=O)N1c1ccccc1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: OCC1CCOC1=O
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Smiles:
OCC1CCOC1=O
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: ClCCC[Si](O[Si](CCCCl)(C)C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
ClCCC[Si](O[Si](CCCCl)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__