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89462-57-7 | 4H-1,4-Oxazocine, 4-[(3,4,5-trimethoxyphenyl)methyl]-
CAS No: 89462-57-7 Catalog No: AG0042F2 MDL No:
Product Description
Catalog Number:
AG0042F2
Chemical Name:
4H-1,4-Oxazocine, 4-[(3,4,5-trimethoxyphenyl)methyl]-
CAS Number:
89462-57-7
Molecular Formula:
C16H19NO4
Molecular Weight:
289.3264
IUPAC Name:
4-[(3,4,5-trimethoxyphenyl)methyl]-1,4-oxazocine
InChI:
InChI=1S/C16H19NO4/c1-18-14-10-13(11-15(19-2)16(14)20-3)12-17-6-4-5-8-21-9-7-17/h4-11H,12H2,1-3H3
InChI Key:
GEPMTOQVLPGMLP-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(cc1OC)Cn1ccccocc1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.131g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.331g/mol
Monoisotopic Mass:
289.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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