AB71039
72594-86-6 | Benzyl tert-butyl malonate
Manufacturer: A2B Chem
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CatalogNumber
AB71039
ChemicalName
Benzyl tert-butyl malonate
CasNumber
72594-86-6
MolecularFormula
C14H18O4
MolecularWeight
250.29032
MdlNumber
MFCD01075175
Smiles
O=C(CC(=O)OC(C)(C)C)OCc1ccccc1
Complexity
285
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
7
Xlogp3
2.6
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CatalogNumber: AB71039
ChemicalName: Benzyl tert-butyl malonate
CasNumber: 72594-86-6
MolecularFormula: C14H18O4
MolecularWeight: 250.29032
MdlNumber: MFCD01075175
Smiles: O=C(CC(=O)OC(C)(C)C)OCc1ccccc1
Complexity: 285
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 7
Xlogp3: 2.6
CatalogNumber:
AB71039
ChemicalName:
Benzyl tert-butyl malonate
CasNumber:
72594-86-6
MolecularFormula:
C14H18O4
MolecularWeight:
250.29032
MdlNumber:
MFCD01075175
Smiles:
O=C(CC(=O)OC(C)(C)C)OCc1ccccc1
Complexity:
285
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
7
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CSCc1ccccc1
Complexity: 129
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CSCc1ccccc1
Complexity:
129
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C/C=C(/C(=O)OCc1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C/C=C(/C(=O)OCc1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(N)(C)C)OCc1ccccc1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(N)(C)C)OCc1ccccc1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__