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87463-36-3 | 3(2H)-Isoquinolinone, 1,4,4a,7,8,8a-hexahydro-2-methyl-, trans-
CAS No: 87463-36-3 Catalog No: AG004K5O MDL No:
Product Description
Catalog Number:
AG004K5O
Chemical Name:
3(2H)-Isoquinolinone, 1,4,4a,7,8,8a-hexahydro-2-methyl-, trans-
CAS Number:
87463-36-3
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
IUPAC Name:
(4aR,8aR)-2-methyl-1,4,4a,7,8,8a-hexahydroisoquinolin-3-one
InChI:
InChI=1S/C10H15NO/c1-11-7-9-5-3-2-4-8(9)6-10(11)12/h2,4,8-9H,3,5-7H2,1H3/t8-,9-/m0/s1
InChI Key:
URKADMJRDKYBIY-IUCAKERBSA-N
SMILES:
O=C1C[C@@H]2C=CCC[C@H]2CN1C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
165.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.236g/mol
Monoisotopic Mass:
165.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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