(4S,5S)-(-)-4-Methoxymethyl-2-methyl-5-phenyl-2-oxazoline

Catalog Number	ACM52075146-1
CAS	52075-14-6
Structure
Synonyms	(4S,5S)-4-(Methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
IUPAC Name	(4S,5S)-4-(methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
Molecular Weight	205.25
Molecular Formula	C12H15NO2
Canonical SMILES	CC1=NC(C(O1)C2=CC=CC=C2)COC
InChI	AKFIXTAIQHJWAU-RYUDHWBXSA-N
InChI Key	InChI=1S/C12H15NO2/c1-9-13-11(8-14-2)12(15-9)10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3/t11-,12-/m0/s1
Boiling Point	79-82 °C at 0.05 mmHg-lit.
Complexity	234
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
EC Number	257-641-6
Exact Mass	205.110278721
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isomeric SMILES	CC1=N[C@H]([C@@H](O1)C2=CC=CC=C2)COC
Monoisotopic Mass	205.110278721
Rotatable Bond Count	3
Topological Polar Surface Area	30.8 Ų