AI39627
1801455-05-9 | tert-Butyl 6-hydroxy-6-methyl-1,4-oxazepane-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI39627
ChemicalName
tert-Butyl 6-hydroxy-6-methyl-1,4-oxazepane-4-carboxylate
CasNumber
1801455-05-9
MolecularFormula
C11H21NO4
MolecularWeight
231.28873999999996
MdlNumber
MFCD28119197
Smiles
O=C(N1CCOCC(C1)(C)O)OC(C)(C)C
Complexity
261
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.3
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CatalogNumber: AI39627
ChemicalName: tert-Butyl 6-hydroxy-6-methyl-1,4-oxazepane-4-carboxylate
CasNumber: 1801455-05-9
MolecularFormula: C11H21NO4
MolecularWeight: 231.28873999999996
MdlNumber: MFCD28119197
Smiles: O=C(N1CCOCC(C1)(C)O)OC(C)(C)C
Complexity: 261
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.3
CatalogNumber:
AI39627
ChemicalName:
tert-Butyl 6-hydroxy-6-methyl-1,4-oxazepane-4-carboxylate
CasNumber:
1801455-05-9
MolecularFormula:
C11H21NO4
MolecularWeight:
231.28873999999996
MdlNumber:
MFCD28119197
Smiles:
O=C(N1CCOCC(C1)(C)O)OC(C)(C)C
Complexity:
261
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.3
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Smiles: CCOc1cc(ccc1C(=O)O)B1OC(C(O1)(C)C)(C)C
Complexity: __
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Smiles:
CCOc1cc(ccc1C(=O)O)B1OC(C(O1)(C)C)(C)C
Complexity:
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HeavyAtomCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: CCCOc1cc(cc(c1)B1OC(C(O1)(C)C)(C)C)C(=O)OC
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCCOc1cc(cc(c1)B1OC(C(O1)(C)C)(C)C)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1cc(cc(c1)C(=O)O)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1cc(cc(c1)C(=O)O)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__