2-(2,6-dimethylphenoxy)propanoic acid

2-(2,6-dimethylphenoxy)propanoic acid

CAS: 124377-60-2

Formula: C11H14O3

SMILES: CC(OC1=C(C)C=CC=C1C)C(O)=O

IUPAC: 2-(2,6-dimethylphenoxy)propanoic acid

InChI: InChI=1/C11H14O3/c1-7-5-4-6-8(2)10(7)14-9(3)11(12)13/h4-6,9H,1-3H3,(H,12,13)

Composition: C (68.02%), H (7.27%), O (24.71%)

Molar Mass: 194.23

Atom Count: 28

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	194.094294311
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YCBHDWAQGHERIL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.18
Topological Polar Surface Area	46.53
Polarizability	20.58
Ring Count	1
Rotatable Bond Count	3

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