(2R)-2-[4-(2-methylpropyl)phenyl](3,3,3-²H?)propanoic acid

(2R)-2-[4-(2-methylpropyl)phenyl](3,3,3-²H?)propanoic acid

CAS: 121702-86-1

Formula: C13H18O2

SMILES: [2H]C([2H])([2H])[C@@H](C(O)=O)C1=CC=C(CC(C)C)C=C1

IUPAC: (2R)-2-[4-(2-methylpropyl)phenyl](3,3,3-²H?)propanoic acid

InChI: InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1/i3D3

Composition: C (74.60%), H (7.22%), [2H] (2.89%), O (15.29%)

Molar Mass: 209.303

Atom Count: 33

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	209.149510057
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HEFNNWSXXWATRW-NYJKMMONSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.73
Topological Polar Surface Area	37.3
Polarizability	23.65
Ring Count	1
Rotatable Bond Count	4

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