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1-(3-isopropylphenyl)ethanone

1-(3-isopropylphenyl)ethanone

CAS: 40428-87-3

Formula: C11H14O

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

IUPAC: 1-[3-(propan-2-yl)phenyl]ethan-1-one

InChI: InChI=1S/C11H14O/c1-8(2)10-5-4-6-11(7-10)9(3)12/h4-8H,1-3H3

Composition: C (81.44%), H (8.70%), O (9.86%)

Molar Mass: 162.232

Atom Count: 26

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 162.104465071
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey JYTHSLNJXAEHQT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.65
Topological Polar Surface Area 17.07
Polarizability 19.53
Ring Count 1
Rotatable Bond Count 2

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