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187235-24-1 | (S)-6-((E)-3,7-DIMETHYL-OCTA-2,6-DIENYLOXY)-2-NITRO-6,7-DIHYDRO-5H-IMIDAZO[2,1-B][1,3]OXAZINE
CAS No: 187235-24-1 Catalog No: AG0074WL MDL No:
Product Description
Catalog Number:
AG0074WL
Chemical Name:
(S)-6-((E)-3,7-DIMETHYL-OCTA-2,6-DIENYLOXY)-2-NITRO-6,7-DIHYDRO-5H-IMIDAZO[2,1-B][1,3]OXAZINE
CAS Number:
187235-24-1
Molecular Formula:
C16H23N3O4
Molecular Weight:
321.3715
IUPAC Name:
(6S)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
InChI:
InChI=1S/C16H23N3O4/c1-12(2)5-4-6-13(3)7-8-22-14-9-18-10-15(19(20)21)17-16(18)23-11-14/h5,7,10,14H,4,6,8-9,11H2,1-3H3/b13-7+/t14-/m0/s1
InChI Key:
XLBGKFOPSLICIW-GUNGLEHYSA-N
SMILES:
C/C(=C\CO[C@@H]1COc2n(C1)cc(n2)[N+](=O)[O-])/CCC=C(C)C
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
321.169g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.377g/mol
Monoisotopic Mass:
321.169g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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