99929-67-6
(1R*,2S*,5R*)-(7-OXO-6-OXA-BICYCLO[3.2.1]OCT-2-YL)-CARBAMIC ACID BENZYL ESTER
Name(1R*,2S*,5R*)-(7-OXO-6-OXA-BICYCLO[3.2.1]OCT-2-YL)-CARBAMIC ACID BENZYL ESTER
1Identification
【Name】
(1R*,2S*,5R*)-(7-OXO-6-OXA-BICYCLO[3.2.1]OCT-2-YL)-CARBAMIC ACID BENZYL ESTER
【CAS】
【MDL】
MFCD08690224
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C15 H17 N O4
【pro_molWeight】
275.302
【Inchi】
InChI=1S/C15H17NO4/c17-14-12-8-11(20-14)6-7-13(12)16-15(18)19-9-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H,16,18)/t11-,12-,13+/m1/s1
【InChIKey】
InChIKey=VYSAFMRDQCECQE-UPJWGTAASA-N
【SMILES】
c1ccc(cc1)COC(=O)N[C@H]2CC[C@@H]3C[C@H]2C(=O)O3
【MOL File】
(1R*,2S*,5R*)-(7-OXO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:1.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
(1R*,2S*,5R*)-(7-OXO-6-OXA-BICYCLO[3.2.1]OCT-2-YL)-CARBAMIC ACID BENZYL ESTER.cml