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1820615-40-4 | 8a-hydroxy-decahydroisoquinolin-3-one
CAS No: 1820615-40-4 Catalog No: AG01BBCM MDL No:MFCD29033780
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
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