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122490-25-9 | 3(4H)-Isoquinolinone,1-ethoxy-4a,7,8,8a-tetrahydro-5-methyl-,cis-(9CI)
CAS No: 122490-25-9 Catalog No: AG00AHJV MDL No:
Product Description
Catalog Number:
AG00AHJV
Chemical Name:
3(4H)-Isoquinolinone,1-ethoxy-4a,7,8,8a-tetrahydro-5-methyl-,cis-(9CI)
CAS Number:
122490-25-9
IUPAC Name:
(4aR,8aR)-1-ethoxy-5-methyl-4a,7,8,8a-tetrahydro-4H-isoquinolin-3-one
InChI:
InChI=1S/C12H17NO2/c1-3-15-12-9-6-4-5-8(2)10(9)7-11(14)13-12/h5,9-10H,3-4,6-7H2,1-2H3/t9-,10+/m1/s1
InChI Key:
XPGHVQAQJLBFDH-ZJUUUORDSA-N
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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