AB59610
411208-03-2 | 1-Trimethylacetylpyrrole
Manufacturer: A2B Chem
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CatalogNumber
AB59610
ChemicalName
1-Trimethylacetylpyrrole
CasNumber
411208-03-2
MolecularFormula
C9H13NO
MolecularWeight
151.2056
MdlNumber
MFCD12756449
Smiles
O=C(C(C)(C)C)n1cccc1
Complexity
151
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
1
RotatableBondCount
1
Xlogp3
1.9
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CatalogNumber: AB59610
ChemicalName: 1-Trimethylacetylpyrrole
CasNumber: 411208-03-2
MolecularFormula: C9H13NO
MolecularWeight: 151.2056
MdlNumber: MFCD12756449
Smiles: O=C(C(C)(C)C)n1cccc1
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AB59610
ChemicalName:
1-Trimethylacetylpyrrole
CasNumber:
411208-03-2
MolecularFormula:
C9H13NO
MolecularWeight:
151.2056
MdlNumber:
MFCD12756449
Smiles:
O=C(C(C)(C)C)n1cccc1
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
1.9
CatalogNumber: AB59611
ChemicalName: 2,2-Dimethyl-1,3-dioxan-5-one
CasNumber: 74181-34-3
MolecularFormula: C6H10O3
MolecularWeight: 130.1418
MdlNumber: MFCD00671514
Smiles: O=C1COC(OC1)(C)C
Complexity: 116
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: 0.3
CatalogNumber:
AB59611
ChemicalName:
2,2-Dimethyl-1,3-dioxan-5-one
CasNumber:
74181-34-3
MolecularFormula:
C6H10O3
MolecularWeight:
130.1418
MdlNumber:
MFCD00671514
Smiles:
O=C1COC(OC1)(C)C
Complexity:
116
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1COC(O1)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1COC(O1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC(CN)(C)C
Complexity: 44
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC(CN)(C)C
Complexity:
44
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.5