AB76136
55107-14-7 | Methyl 4,4-dimethyl-3-oxopentanoate
Manufacturer: A2B Chem
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CatalogNumber
AB76136
ChemicalName
Methyl 4,4-dimethyl-3-oxopentanoate
CasNumber
55107-14-7
MolecularFormula
C8H14O3
MolecularWeight
158.195
MdlNumber
MFCD00008847
Smiles
COC(=O)CC(=O)C(C)(C)C
NscNumber
246205
Complexity
165
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
1.4
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CatalogNumber: AB76136
ChemicalName: Methyl 4,4-dimethyl-3-oxopentanoate
CasNumber: 55107-14-7
MolecularFormula: C8H14O3
MolecularWeight: 158.195
MdlNumber: MFCD00008847
Smiles: COC(=O)CC(=O)C(C)(C)C
NscNumber: 246205
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 1.4
CatalogNumber:
AB76136
ChemicalName:
Methyl 4,4-dimethyl-3-oxopentanoate
CasNumber:
55107-14-7
MolecularFormula:
C8H14O3
MolecularWeight:
158.195
MdlNumber:
MFCD00008847
Smiles:
COC(=O)CC(=O)C(C)(C)C
NscNumber:
246205
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
1.4
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Smiles: COCC#C
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Complexity: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
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__
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Smiles:
COCC#C
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RotatableBondCount:
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Smiles: CCCSSC
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CCCSSC
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RotatableBondCount:
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Smiles:
CCCSC
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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