2-(2,3-dimethylphenoxy)-2-methylpropanoic acid

2-(2,3-dimethylphenoxy)-2-methylpropanoic acid

CAS: 667440-80-4

Formula: C12H16O3

SMILES: CC1=CC=CC(OC(C)(C)C(O)=O)=C1C

IUPAC: 2-(2,3-dimethylphenoxy)-2-methylpropanoic acid

InChI: InChI=1S/C12H16O3/c1-8-6-5-7-10(9(8)2)15-12(3,4)11(13)14/h5-7H,1-4H3,(H,13,14)

Composition: C (69.21%), H (7.74%), O (23.05%)

Molar Mass: 208.257

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	208.109944375
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BVMJEFFWDAOAAU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.9
Topological Polar Surface Area	46.53
Polarizability	22.41
Ring Count	1
Rotatable Bond Count	3

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