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89104-95-0 | 3(2H)-Isoquinolinone, octahydro-, trans-
CAS No: 89104-95-0 Catalog No: AG0086X0 MDL No:
Product Description
Catalog Number:
AG0086X0
Chemical Name:
3(2H)-Isoquinolinone, octahydro-, trans-
CAS Number:
89104-95-0
Molecular Formula:
C9H15NO
Molecular Weight:
153.2215
IUPAC Name:
2,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-one
InChI:
InChI=1S/C9H15NO/c11-9-5-7-3-1-2-4-8(7)6-10-9/h7-8H,1-6H2,(H,10,11)
InChI Key:
JOLSVXSBWWWNDN-UHFFFAOYSA-N
SMILES:
O=C1NC[C@H]2[C@H](C1)CCCC2
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.225g/mol
Monoisotopic Mass:
153.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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