AC53878
77745-32-5 | 8-Oxabicyclo[3.2.1]octan-3-one
Manufacturer: A2B Chem
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CatalogNumber
AC53878
ChemicalName
8-Oxabicyclo[3.2.1]octan-3-one
CasNumber
77745-32-5
MolecularFormula
C7H10O2
MolecularWeight
126.1531
MdlNumber
MFCD23106461
Smiles
O=C1CC2CCC(C1)O2
Complexity
128
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
0.2
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CatalogNumber: AC53878
ChemicalName: 8-Oxabicyclo[3.2.1]octan-3-one
CasNumber: 77745-32-5
MolecularFormula: C7H10O2
MolecularWeight: 126.1531
MdlNumber: MFCD23106461
Smiles: O=C1CC2CCC(C1)O2
Complexity: 128
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 0.2
CatalogNumber:
AC53878
ChemicalName:
8-Oxabicyclo[3.2.1]octan-3-one
CasNumber:
77745-32-5
MolecularFormula:
C7H10O2
MolecularWeight:
126.1531
MdlNumber:
MFCD23106461
Smiles:
O=C1CC2CCC(C1)O2
Complexity:
128
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
0.2
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Smiles: Brc1cccc(c1)c1nc2c([nH]1)cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
Brc1cccc(c1)c1nc2c([nH]1)cccc2
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: NC(=N)N1CCN(CC1)Cc1ccccc1
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Xlogp3: __
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__
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
NC(=N)N1CCN(CC1)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: O=C1NCC(CC(C1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NCC(CC(C1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__