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2-[2-(sec-butyl)phenoxy]propanoic acid

2-[2-(sec-butyl)phenoxy]propanoic acid

CAS: 887029-70-1

Formula: C13H18O3

SMILES: CCC(C)C1=CC=CC=C1OC(C)C(O)=O

IUPAC: 2-[2-(butan-2-yl)phenoxy]propanoic acid

InChI: InChI=1/C13H18O3/c1-4-9(2)11-7-5-6-8-12(11)16-10(3)13(14)15/h5-10H,4H2,1-3H3,(H,14,15)

Composition: C (70.24%), H (8.16%), O (21.59%)

Molar Mass: 222.284

Atom Count: 34

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 222.12559444
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey RVCUDPXOVJSAHP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.89
Topological Polar Surface Area 46.53
Polarizability 24.33
Ring Count 1
Rotatable Bond Count 5

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