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1932423-20-5 | (6aR,9aS)-2H,5H,6H,6aH,7H,9H,9aH-furo[3,4-b][1,4]oxazocine
CAS No: 1932423-20-5 Catalog No: AG01AJQH MDL No:
Product Description
Catalog Number:
AG01AJQH
Chemical Name:
(6aR,9aS)-2H,5H,6H,6aH,7H,9H,9aH-furo[3,4-b][1,4]oxazocine
CAS Number:
1932423-20-5
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
IUPAC Name:
(3Z,6aR,9aS)-5,6,6a,7,9,9a-hexahydro-2H-furo[3,4-b][1,4]oxazocine
InChI:
InChI=1S/C8H13NO2/c1-2-4-11-8-6-10-5-7(8)9-3-1/h1-2,7-9H,3-6H2/b2-1-/t7-,8-/m1/s1
InChI Key:
BWVUMZXOVZDWPP-LQKKCHKWSA-N
SMILES:
C1=CCO[C@H]2[C@H](NC1)COC2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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