AB48726
628-51-3 | Methylene diacetate
Manufacturer: A2B Chem
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CatalogNumber
AB48726
ChemicalName
Methylene diacetate
CasNumber
628-51-3
MolecularFormula
C5H8O4
MolecularWeight
132.1146
MdlNumber
MFCD00010751
Smiles
CC(=O)OCOC(=O)C
NscNumber
57545
Complexity
104
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
0.1
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CatalogNumber: AB48726
ChemicalName: Methylene diacetate
CasNumber: 628-51-3
MolecularFormula: C5H8O4
MolecularWeight: 132.1146
MdlNumber: MFCD00010751
Smiles: CC(=O)OCOC(=O)C
NscNumber: 57545
Complexity: 104
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 0.1
CatalogNumber:
AB48726
ChemicalName:
Methylene diacetate
CasNumber:
628-51-3
MolecularFormula:
C5H8O4
MolecularWeight:
132.1146
MdlNumber:
MFCD00010751
Smiles:
CC(=O)OCOC(=O)C
NscNumber:
57545
Complexity:
104
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
0.1
CatalogNumber: AB48727
ChemicalName: 2-Methylisonicotinaldehyde
CasNumber: 63875-01-4
MolecularFormula: C7H7NO
MolecularWeight: 121.1366
MdlNumber: MFCD06410683
Smiles: O=Cc1ccnc(c1)C
NscNumber: __
Complexity: 103
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AB48727
ChemicalName:
2-Methylisonicotinaldehyde
CasNumber:
63875-01-4
MolecularFormula:
C7H7NO
MolecularWeight:
121.1366
MdlNumber:
MFCD06410683
Smiles:
O=Cc1ccnc(c1)C
NscNumber:
__
Complexity:
103
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1ccc2c(c1)CNC2=O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1ccc2c(c1)CNC2=O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB48729
ChemicalName: Methyl 4-fluorobenzoylacetate
CasNumber: 63131-29-3
MolecularFormula: C10H9FO3
MolecularWeight: 196.1751
MdlNumber: MFCD00000355
Smiles: COC(=O)CC(=O)c1ccc(cc1)F
NscNumber: __
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 1.7
CatalogNumber:
AB48729
ChemicalName:
Methyl 4-fluorobenzoylacetate
CasNumber:
63131-29-3
MolecularFormula:
C10H9FO3
MolecularWeight:
196.1751
MdlNumber:
MFCD00000355
Smiles:
COC(=O)CC(=O)c1ccc(cc1)F
NscNumber:
__
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
1.7