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70569-66-3 | cis-4a,5,8,8a-Tetrahydro-4a-methoxycarbonyl-2,6,7-trimethyl-1(2H)-isoquinolone
CAS No: 70569-66-3 Catalog No: AG00FM80 MDL No:
Product Description
Catalog Number:
AG00FM80
Chemical Name:
cis-4a,5,8,8a-Tetrahydro-4a-methoxycarbonyl-2,6,7-trimethyl-1(2H)-isoquinolone
CAS Number:
70569-66-3
IUPAC Name:
methyl (4aS,8aR)-2,6,7-trimethyl-1-oxo-8,8a-dihydro-5H-isoquinoline-4a-carboxylate
InChI:
InChI=1S/C14H19NO3/c1-9-7-11-12(16)15(3)6-5-14(11,8-10(9)2)13(17)18-4/h5-6,11H,7-8H2,1-4H3/t11-,14+/m0/s1
InChI Key:
MCZSWMQVRJBHRA-SMDDNHRTSA-N
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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