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3-[2-(4-methylphenoxy)phenyl]propanoic acid

3-[2-(4-methylphenoxy)phenyl]propanoic acid

CAS: 886361-09-7

Formula: C16H16O3

SMILES: CC1=CC=C(OC2=C(CCC(O)=O)C=CC=C2)C=C1

IUPAC: 3-[2-(4-methylphenoxy)phenyl]propanoic acid

InChI: InChI=1S/C16H16O3/c1-12-6-9-14(10-7-12)19-15-5-3-2-4-13(15)8-11-16(17)18/h2-7,9-10H,8,11H2,1H3,(H,17,18)

Composition: C (74.98%), H (6.29%), O (18.73%)

Molar Mass: 256.301

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 256.109944375
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey YPZDUVFPRLBCEP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.25
Topological Polar Surface Area 46.53
Polarizability 28.45
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 886361-09-7 $51.35-$1,796.07$51.35$63.37$86.31$374.73$598.69$1,796.07
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