AF63445
22035-53-6 | Dimethyl isopropylidenemalonate
Manufacturer: A2B Chem
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CatalogNumber
AF63445
ChemicalName
Dimethyl isopropylidenemalonate
CasNumber
22035-53-6
MolecularFormula
C8H12O4
MolecularWeight
172.1785
MdlNumber
MFCD00517665
Smiles
COC(=O)C(=C(C)C)C(=O)OC
Complexity
205
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
1.6
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CatalogNumber: AF63445
ChemicalName: Dimethyl isopropylidenemalonate
CasNumber: 22035-53-6
MolecularFormula: C8H12O4
MolecularWeight: 172.1785
MdlNumber: MFCD00517665
Smiles: COC(=O)C(=C(C)C)C(=O)OC
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 1.6
CatalogNumber:
AF63445
ChemicalName:
Dimethyl isopropylidenemalonate
CasNumber:
22035-53-6
MolecularFormula:
C8H12O4
MolecularWeight:
172.1785
MdlNumber:
MFCD00517665
Smiles:
COC(=O)C(=C(C)C)C(=O)OC
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
1.6
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Smiles: COc1ccc(cc1OCc1ccccc1)C(C[N+](=O)[O-])OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1ccc(cc1OCc1ccccc1)C(C[N+](=O)[O-])OC
Complexity:
__
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__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccccc1
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Smiles:
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: COc1ccccc1CC(=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1ccccc1CC(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__