AF42921
205877-92-5 | tert-Butyl (4-oxocyclohex-2-en-1-yl)carbamate
Manufacturer: A2B Chem
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CatalogNumber
AF42921
ChemicalName
tert-Butyl (4-oxocyclohex-2-en-1-yl)carbamate
CasNumber
205877-92-5
MolecularFormula
C11H17NO3
MolecularWeight
211.25758000000002
MdlNumber
MFCD07787448
Smiles
O=C(OC(C)(C)C)NC1CCC(=O)C=C1
Complexity
289
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.2
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CatalogNumber: AF42921
ChemicalName: tert-Butyl (4-oxocyclohex-2-en-1-yl)carbamate
CasNumber: 205877-92-5
MolecularFormula: C11H17NO3
MolecularWeight: 211.25758000000002
MdlNumber: MFCD07787448
Smiles: O=C(OC(C)(C)C)NC1CCC(=O)C=C1
Complexity: 289
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.2
CatalogNumber:
AF42921
ChemicalName:
tert-Butyl (4-oxocyclohex-2-en-1-yl)carbamate
CasNumber:
205877-92-5
MolecularFormula:
C11H17NO3
MolecularWeight:
211.25758000000002
MdlNumber:
MFCD07787448
Smiles:
O=C(OC(C)(C)C)NC1CCC(=O)C=C1
Complexity:
289
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.2
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Smiles: CC[C@H](NC(=O)OC(C)(C)C)CN
Complexity: __
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
CC[C@H](NC(=O)OC(C)(C)C)CN
Complexity:
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: NCCCONC(=O)OC(C)(C)C
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Smiles:
NCCCONC(=O)OC(C)(C)C
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: CC1CCNCC1NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CC1CCNCC1NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__