AA21962
115913-30-9 | 1,1'-(Bicyclo[1.1.1]pentane-1,3-diyl)diethanone
Manufacturer: A2B Chem
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CatalogNumber
AA21962
ChemicalName
1,1'-(Bicyclo[1.1.1]pentane-1,3-diyl)diethanone
CasNumber
115913-30-9
MolecularFormula
C9H12O2
MolecularWeight
152.19038
MdlNumber
MFCD23164149
Smiles
CC(=O)C12CC(C1)(C2)C(=O)C
Complexity
200
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
-0.1
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CatalogNumber: AA21962
ChemicalName: 1,1'-(Bicyclo[1.1.1]pentane-1,3-diyl)diethanone
CasNumber: 115913-30-9
MolecularFormula: C9H12O2
MolecularWeight: 152.19038
MdlNumber: MFCD23164149
Smiles: CC(=O)C12CC(C1)(C2)C(=O)C
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: -0.1
CatalogNumber:
AA21962
ChemicalName:
1,1'-(Bicyclo[1.1.1]pentane-1,3-diyl)diethanone
CasNumber:
115913-30-9
MolecularFormula:
C9H12O2
MolecularWeight:
152.19038
MdlNumber:
MFCD23164149
Smiles:
CC(=O)C12CC(C1)(C2)C(=O)C
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.1
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Smiles: CC(=O)NC(OC(C)C)C
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
CC(=O)NC(OC(C)C)C
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: OCCC1CCN(CC1)C(=O)OCc1ccccc1
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Smiles:
OCCC1CCN(CC1)C(=O)OCc1ccccc1
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__
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RotatableBondCount:
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Smiles: FCS(=O)(=O)c1ccc(cc1)C
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
FCS(=O)(=O)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__