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110011-82-0 | 1H-2,5-Benzoxazocine,3,4,5,6-tetrahydro-5-methyl-1-phenyl-, (1S)-
CAS No: 110011-82-0 Catalog No: AG0084IL MDL No:
Product Description
Catalog Number:
AG0084IL
Chemical Name:
1H-2,5-Benzoxazocine,3,4,5,6-tetrahydro-5-methyl-1-phenyl-, (1S)-
CAS Number:
110011-82-0
Molecular Formula:
C17H19NO
Molecular Weight:
253.3389
IUPAC Name:
(1S)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine
InChI:
InChI=1S/C17H19NO/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18/h2-10,17H,11-13H2,1H3/t17-/m0/s1
InChI Key:
RGPDEAGGEXEMMM-KRWDZBQOSA-N
SMILES:
CN1CCO[C@H](c2c(C1)cccc2)c1ccccc1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
253.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.345g/mol
Monoisotopic Mass:
253.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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