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1178884-68-8 | 6-tert-Butyl-3,4-dihydroisoquinolin-1(2h)-one
CAS No: 1178884-68-8 Catalog No: AG0095PA MDL No:MFCD19441516
Product Description
Catalog Number:
AG0095PA
Chemical Name:
6-tert-Butyl-3,4-dihydroisoquinolin-1(2h)-one
CAS Number:
1178884-68-8
MDL Number:
MFCD19441516
IUPAC Name:
6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C13H17NO/c1-13(2,3)10-4-5-11-9(8-10)6-7-14-12(11)15/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChI Key:
KVSRTYBIFKWHND-UHFFFAOYSA-N
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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