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423118-91-6 | 3(2H)-Isoquinolinone,2-ethenyl-4-ethyl-1,4-dihydro-(9CI)
CAS No: 423118-91-6 Catalog No: AG00CXIP MDL No:
Product Description
Catalog Number:
AG00CXIP
Chemical Name:
3(2H)-Isoquinolinone,2-ethenyl-4-ethyl-1,4-dihydro-(9CI)
CAS Number:
423118-91-6
IUPAC Name:
2-ethenyl-4-ethyl-1,4-dihydroisoquinolin-3-one
InChI:
InChI=1S/C13H15NO/c1-3-11-12-8-6-5-7-10(12)9-14(4-2)13(11)15/h4-8,11H,2-3,9H2,1H3
InChI Key:
OVBLIQHRYVKTCV-UHFFFAOYSA-N
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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