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1-(4-tert-butylphenyl)-2,2-dimethylpropan-1-one

1-(4-tert-butylphenyl)-2,2-dimethylpropan-1-one

Formula: C15H22O

SMILES: CC(C)(C)C(=O)C1=CC=C(C=C1)C(C)(C)C

IUPAC: 1-(4-tert-butylphenyl)-2,2-dimethylpropan-1-one

InChI: InChI=1S/C15H22O/c1-14(2,3)12-9-7-11(8-10-12)13(16)15(4,5)6/h7-10H,1-6H3

Composition: C (82.52%), H (10.16%), O (7.33%)

Molar Mass: 218.34

Atom Count: 38

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 218.167065328
Formal Charge 0
FSP3 0.53
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey ZISXBXYWRHTLEN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.83
Topological Polar Surface Area 17.07
Polarizability 26.91
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
97% <7 Days C15H22O $157.08-$724.63$157.08$724.63
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98% <10 Days C15H22O Quote Only
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