AA73190
145166-06-9 | tert-Butyl ((1S,2S)-2-hydroxycyclohexyl)carbamate
Manufacturer: A2B Chem
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CatalogNumber
AA73190
ChemicalName
tert-Butyl ((1S,2S)-2-hydroxycyclohexyl)carbamate
CasNumber
145166-06-9
MolecularFormula
C11H21NO3
MolecularWeight
215.2893
MdlNumber
MFCD11042330
Smiles
O=C(OC(C)(C)C)N[C@H]1CCCC[C@@H]1O
Complexity
222
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.6
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CatalogNumber: AA73190
ChemicalName: tert-Butyl ((1S,2S)-2-hydroxycyclohexyl)carbamate
CasNumber: 145166-06-9
MolecularFormula: C11H21NO3
MolecularWeight: 215.2893
MdlNumber: MFCD11042330
Smiles: O=C(OC(C)(C)C)N[C@H]1CCCC[C@@H]1O
Complexity: 222
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AA73190
ChemicalName:
tert-Butyl ((1S,2S)-2-hydroxycyclohexyl)carbamate
CasNumber:
145166-06-9
MolecularFormula:
C11H21NO3
MolecularWeight:
215.2893
MdlNumber:
MFCD11042330
Smiles:
O=C(OC(C)(C)C)N[C@H]1CCCC[C@@H]1O
Complexity:
222
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.6
CatalogNumber: __
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Smiles: N[C@H]1CCCCC[C@@H]1O
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
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Smiles:
N[C@H]1CCCCC[C@@H]1O
Complexity:
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HeavyAtomCount:
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__
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Smiles: CC[C@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C(=O)C=C2[C@]1(C)CC[C@@H](C2)O)C
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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Smiles:
CC[C@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C(=O)C=C2[C@]1(C)CC[C@@H](C2)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: Brc1ccnn1Cc1ccccc1
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccnn1Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__