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62775-08-0 | 4-(2,3-EPOXYPROPOXY)-2-METHYL-1(2H)-ISOQUINOLINONE
CAS No: 62775-08-0 Catalog No: AG00ET0J MDL No:
Product Description
Catalog Number:
AG00ET0J
Chemical Name:
4-(2,3-EPOXYPROPOXY)-2-METHYL-1(2H)-ISOQUINOLINONE
CAS Number:
62775-08-0
IUPAC Name:
2-methyl-4-(oxiran-2-ylmethoxy)isoquinolin-1-one
InChI:
InChI=1S/C13H13NO3/c1-14-6-12(17-8-9-7-16-9)10-4-2-3-5-11(10)13(14)15/h2-6,9H,7-8H2,1H3
InChI Key:
BQDSQSUKMYQJAA-UHFFFAOYSA-N
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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