137869-70-6
(3R-CIS)-7A-METHYL-3-PHENYLTETRAHYDROPYRROLO[2,1-B]OXAZOL-5(6H)-ONE
Name(3R-CIS)-7A-METHYL-3-PHENYLTETRAHYDROPYRROLO[2,1-B]OXAZOL-5(6H)-ONE
1Identification
【Name】
(3R-CIS)-7A-METHYL-3-PHENYLTETRAHYDROPYRROLO[2,1-B]OXAZOL-5(6H)-ONE
【CAS】
【MDL】
MFCD01075686
【English Synonyms】
【Formula】
C13 H15 N O2
【MolWeight】
217.266
【Inchi】
InChI=1S/C13H15NO2/c1-13-8-7-12(15)14(13)11(9-16-13)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-,13-/m0/s1
【InChIKey】
InChIKey=JVEHIYMWPAQEIR-AAEUAGOBSA-N
【SMILES】
C[C@]12CCC(=O)N1[C@@H](CO2)c3ccccc3
【MOL File】
(3R-CIS)-7A-METHYL-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3R-CIS)-7A-METHYL-3-PHENYLTETRAHYDROPYRROLO[2,1-B]OXAZOL-5(6H)-ONE.cml