(2R)-2-benzyl-4-(tert-butoxy)-4-oxobutanoic acid

(2R)-2-benzyl-4-(tert-butoxy)-4-oxobutanoic acid

CAS: 122225-33-6

Formula: C15H20O4

SMILES: CC(C)(C)OC(=O)C[C@@H](CC1=CC=CC=C1)C(O)=O

IUPAC: (2R)-2-benzyl-4-(tert-butoxy)-4-oxobutanoic acid

InChI: InChI=1S/C15H20O4/c1-15(2,3)19-13(16)10-12(14(17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,18)/t12-/m1/s1

Composition: C (68.16%), H (7.63%), O (24.21%)

Molar Mass: 264.321

Atom Count: 39

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	264.136159124
Formal Charge	0
FSP3	0.47
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	TWMRLCPQQCHIBH-GFCCVEGCSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.38
Topological Polar Surface Area	63.6
Polarizability	28.19
Ring Count	1
Rotatable Bond Count	7

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