AB65841
943-88-4 | 1-(P-Methoxyphenyl)-1-buten-3-one
Manufacturer: A2B Chem
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CatalogNumber
AB65841
ChemicalName
1-(P-Methoxyphenyl)-1-buten-3-one
CasNumber
943-88-4
MolecularFormula
C11H12O2
MolecularWeight
176.2118
MdlNumber
MFCD00017251
Smiles
COc1ccc(cc1)/C=C/C(=O)C
Complexity
188
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AB65841
ChemicalName: 1-(P-Methoxyphenyl)-1-buten-3-one
CasNumber: 943-88-4
MolecularFormula: C11H12O2
MolecularWeight: 176.2118
MdlNumber: MFCD00017251
Smiles: COc1ccc(cc1)/C=C/C(=O)C
Complexity: 188
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AB65841
ChemicalName:
1-(P-Methoxyphenyl)-1-buten-3-one
CasNumber:
943-88-4
MolecularFormula:
C11H12O2
MolecularWeight:
176.2118
MdlNumber:
MFCD00017251
Smiles:
COc1ccc(cc1)/C=C/C(=O)C
Complexity:
188
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)CCCC(=O)O
Complexity: 171
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)CCCC(=O)O
Complexity:
171
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)N1CCOCC1
Complexity: 161
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)N1CCOCC1
Complexity:
161
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.3
CatalogNumber: AB65844
ChemicalName: 4-(4-Methylpiperazin-1-yl)butanoic acid
CasNumber: 58077-68-2
MolecularFormula: C9H18N2O2
MolecularWeight: 186.25142000000002
MdlNumber: MFCD09717495
Smiles: CN1CCN(CC1)CCCC(=O)O
Complexity: 165
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: -2.4
CatalogNumber:
AB65844
ChemicalName:
4-(4-Methylpiperazin-1-yl)butanoic acid
CasNumber:
58077-68-2
MolecularFormula:
C9H18N2O2
MolecularWeight:
186.25142000000002
MdlNumber:
MFCD09717495
Smiles:
CN1CCN(CC1)CCCC(=O)O
Complexity:
165
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
-2.4