Home Other Building Blocks 8a-hydroxy-decahydroisoquinolin-3-one

8a-hydroxy-decahydroisoquinolin-3-one

CAS No.:
1820615-40-4
Catalog Number:
AG01BBCM
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
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Product Description
Catalog Number:
AG01BBCM
Chemical Name:
8a-hydroxy-decahydroisoquinolin-3-one
CAS Number:
1820615-40-4
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
MDL Number:
MFCD29033780
IUPAC Name:
8a-hydroxy-1,2,4,4a,5,6,7,8-octahydroisoquinolin-3-one
InChI:
InChI=1S/C9H15NO2/c11-8-5-7-3-1-2-4-9(7,12)6-10-8/h7,12H,1-6H2,(H,10,11)
InChI Key:
SGNQUTAWXFKMBJ-UHFFFAOYSA-N
SMILES:
O=C1NCC2(C(C1)CCCC2)O
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties