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88956-51-8 | Isoquinoline, 2-hexyldecahydro-4a-(3-methoxyphenyl)-, trans-
CAS No: 88956-51-8 Catalog No: AG0046ST MDL No:
Product Description
Catalog Number:
AG0046ST
Chemical Name:
Isoquinoline, 2-hexyldecahydro-4a-(3-methoxyphenyl)-, trans-
CAS Number:
88956-51-8
Molecular Formula:
C22H35NO
Molecular Weight:
329.5194
IUPAC Name:
2-hexyl-4a-(3-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinoline
InChI:
InChI=1S/C22H35NO/c1-3-4-5-8-15-23-16-14-22(13-7-6-10-20(22)18-23)19-11-9-12-21(17-19)24-2/h9,11-12,17,20H,3-8,10,13-16,18H2,1-2H3
InChI Key:
CXBVIAZKLYKBKZ-UHFFFAOYSA-N
SMILES:
CCCCCCN1CC[C@]2([C@H](C1)CCCC2)c1cccc(c1)OC
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.272g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.528g/mol
Monoisotopic Mass:
329.272g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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