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Home > Other Heterocycles > 183671-34-3
183671-34-3 | (S)-BENZYL (1-(4-METHYL-2,6,7-TRIOXABICYCLO[2.2.2]OCTAN-1-YL)-2-OXOETHYL)CARBAMATE
CAS No: 183671-34-3 Catalog No: AG01DX3G MDL No:
Product Description
Catalog Number:
AG01DX3G
Chemical Name:
(S)-BENZYL (1-(4-METHYL-2,6,7-TRIOXABICYCLO[2.2.2]OCTAN-1-YL)-2-OXOETHYL)CARBAMATE
CAS Number:
183671-34-3
IUPAC Name:
benzyl N-[1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)-2-oxoethyl]carbamate
InChI:
InChI=1S/C16H19NO6/c1-15-9-21-16(22-10-15,23-11-15)13(7-18)17-14(19)20-8-12-5-3-2-4-6-12/h2-7,13H,8-11H2,1H3,(H,17,19)
InChI Key:
PBUIHKQWTGHJCB-UHFFFAOYSA-N
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.329g/mol
Monoisotopic Mass:
321.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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