AB56638
4160-52-5 | 1-(p-Tolyl)butan-1-one
Manufacturer: A2B Chem
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CatalogNumber
AB56638
ChemicalName
1-(p-Tolyl)butan-1-one
CasNumber
4160-52-5
MolecularFormula
C11H14O
MolecularWeight
162.2283
MdlNumber
MFCD00027139
Smiles
CCC(=O)Cc1ccc(cc1)C
NscNumber
163487
Complexity
143
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
1
RotatableBondCount
3
Xlogp3
2.9
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CatalogNumber: AB56638
ChemicalName: 1-(p-Tolyl)butan-1-one
CasNumber: 4160-52-5
MolecularFormula: C11H14O
MolecularWeight: 162.2283
MdlNumber: MFCD00027139
Smiles: CCC(=O)Cc1ccc(cc1)C
NscNumber: 163487
Complexity: 143
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AB56638
ChemicalName:
1-(p-Tolyl)butan-1-one
CasNumber:
4160-52-5
MolecularFormula:
C11H14O
MolecularWeight:
162.2283
MdlNumber:
MFCD00027139
Smiles:
CCC(=O)Cc1ccc(cc1)C
NscNumber:
163487
Complexity:
143
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
RotatableBondCount:
3
Xlogp3:
2.9
CatalogNumber: AB56639
ChemicalName: 1-(4-Methylphenyl)ethanol
CasNumber: 536-50-5
MolecularFormula: C9H12O
MolecularWeight: 136.19098
MdlNumber: MFCD00016860
Smiles: Cc1ccc(cc1)C(O)C
NscNumber: 41714
Complexity: 92.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AB56639
ChemicalName:
1-(4-Methylphenyl)ethanol
CasNumber:
536-50-5
MolecularFormula:
C9H12O
MolecularWeight:
136.19098
MdlNumber:
MFCD00016860
Smiles:
Cc1ccc(cc1)C(O)C
NscNumber:
41714
Complexity:
92.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
1.8
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Smiles:
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Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)N1CCNCC1
NscNumber: __
Complexity: 144
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1)N1CCNCC1
NscNumber:
__
Complexity:
144
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.5