AB71636
921209-92-9 | Methyl 4-((4-methoxybenzyl)oxy)-3-oxobutanoate
Manufacturer: A2B Chem
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CatalogNumber
AB71636
ChemicalName
Methyl 4-((4-methoxybenzyl)oxy)-3-oxobutanoate
CasNumber
921209-92-9
MolecularFormula
C13H16O5
MolecularWeight
252.2631
MdlNumber
MFCD28016366
Smiles
COC(=O)CC(=O)COCc1ccc(cc1)OC
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
RotatableBondCount
8
Xlogp3
1.3
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CatalogNumber: AB71636
ChemicalName: Methyl 4-((4-methoxybenzyl)oxy)-3-oxobutanoate
CasNumber: 921209-92-9
MolecularFormula: C13H16O5
MolecularWeight: 252.2631
MdlNumber: MFCD28016366
Smiles: COC(=O)CC(=O)COCc1ccc(cc1)OC
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: 8
Xlogp3: 1.3
CatalogNumber:
AB71636
ChemicalName:
Methyl 4-((4-methoxybenzyl)oxy)-3-oxobutanoate
CasNumber:
921209-92-9
MolecularFormula:
C13H16O5
MolecularWeight:
252.2631
MdlNumber:
MFCD28016366
Smiles:
COC(=O)CC(=O)COCc1ccc(cc1)OC
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
8
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCC(=O)OCC=Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCC(=O)OCC=Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc(c(c1)O)C(=O)/C=C/c1ccc(c(c1)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc(c(c1)O)C(=O)/C=C/c1ccc(c(c1)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCOC(=O)C1=CC(=O)CC(O1)(C)C
Complexity: 315
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCOC(=O)C1=CC(=O)CC(O1)(C)C
Complexity:
315
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9