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67293-79-2 | 4-(3,4-Dimethoxyphenethyl)-3,4,5,6-tetrahydro-2,6-methano-2H-1,4-benzoxazocine
CAS No: 67293-79-2 Catalog No: AG00FPAU MDL No:
Product Description
Catalog Number:
AG00FPAU
Chemical Name:
4-(3,4-Dimethoxyphenethyl)-3,4,5,6-tetrahydro-2,6-methano-2H-1,4-benzoxazocine
CAS Number:
67293-79-2
IUPAC Name:
11-[2-(3,4-dimethoxyphenyl)ethyl]-8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
InChI:
InChI=1S/C21H25NO3/c1-23-20-8-7-15(11-21(20)24-2)9-10-22-13-16-12-17(14-22)25-19-6-4-3-5-18(16)19/h3-8,11,16-17H,9-10,12-14H2,1-2H3
InChI Key:
QKEIKIBTZWQXLF-UHFFFAOYSA-N
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.183g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.435g/mol
Monoisotopic Mass:
339.183g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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