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89240-56-2 | Phenol, 2-[(1,2,3,4,5,6,7,8-octahydro-2-methyl-1-isoquinolinyl)methyl]-
CAS No: 89240-56-2 Catalog No: AG00449G MDL No:
Product Description
Catalog Number:
AG00449G
Chemical Name:
Phenol, 2-[(1,2,3,4,5,6,7,8-octahydro-2-methyl-1-isoquinolinyl)methyl]-
CAS Number:
89240-56-2
Molecular Formula:
C17H23NO
Molecular Weight:
257.3706
IUPAC Name:
2-[(2-methyl-3,4,5,6,7,8-hexahydro-1H-isoquinolin-1-yl)methyl]phenol
InChI:
InChI=1S/C17H23NO/c1-18-11-10-13-6-2-4-8-15(13)16(18)12-14-7-3-5-9-17(14)19/h3,5,7,9,16,19H,2,4,6,8,10-12H2,1H3
InChI Key:
GRYFYCOLIDABKL-UHFFFAOYSA-N
SMILES:
CN1CCC2=C(C1Cc1ccccc1O)CCCC2
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.178g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.377g/mol
Monoisotopic Mass:
257.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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