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116584-94-2 | 2H-Naphth[2,3-b]-1,4-oxazine, 3,4,4a,5,10,10a-hexahydro-6,9-dimethoxy-4-propyl-, trans- (9CI)
CAS No: 116584-94-2 Catalog No: AG000CTJ MDL No:
Product Description
Catalog Number:
AG000CTJ
Chemical Name:
2H-Naphth[2,3-b]-1,4-oxazine, 3,4,4a,5,10,10a-hexahydro-6,9-dimethoxy-4-propyl-, trans- (9CI)
CAS Number:
116584-94-2
Molecular Formula:
C17H25NO3
Molecular Weight:
291.3853
IUPAC Name:
(4aR,10aR)-6,9-dimethoxy-4-propyl-2,3,4a,5,10,10a-hexahydrobenzo[g][1,4]benzoxazine
InChI:
InChI=1S/C17H25NO3/c1-4-7-18-8-9-21-17-11-13-12(10-14(17)18)15(19-2)5-6-16(13)20-3/h5-6,14,17H,4,7-11H2,1-3H3/t14-,17-/m1/s1
InChI Key:
XAVFMHGZNAWWAI-RHSMWYFYSA-N
SMILES:
CCCN1CCO[C@H]2[C@H]1Cc1c(OC)ccc(c1C2)OC
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
291.183g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.391g/mol
Monoisotopic Mass:
291.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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