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189760-44-9 | Naphth[1,2-d]oxazole, 3a,4,5,9b-tetrahydro-2-phenyl-, (3aR,9bS)-rel-
CAS No: 189760-44-9 Catalog No: AG002DXI MDL No:
Product Description
Catalog Number:
AG002DXI
Chemical Name:
Naphth[1,2-d]oxazole, 3a,4,5,9b-tetrahydro-2-phenyl-, (3aR,9bS)-rel-
CAS Number:
189760-44-9
Molecular Formula:
C17H15NO
Molecular Weight:
249.3071
IUPAC Name:
(3aR,9bS)-2-phenyl-3a,4,5,9b-tetrahydrobenzo[e][1,3]benzoxazole
InChI:
InChI=1S/C17H15NO/c1-2-7-13(8-3-1)17-18-16-14-9-5-4-6-12(14)10-11-15(16)19-17/h1-9,15-16H,10-11H2/t15-,16+/m1/s1
InChI Key:
JCMGYLCYRRYFNI-CVEARBPZSA-N
SMILES:
c1ccc(cc1)C1=N[C@@H]2[C@H](O1)CCc1c2cccc1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
249.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.313g/mol
Monoisotopic Mass:
249.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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