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53204-51-6 | 4,4-Diallyl-2-hydroxyisoquinoline-1,3(2H,4H)-dione
CAS No: 53204-51-6 Catalog No: AG01EBRY MDL No:
Product Description
Catalog Number:
AG01EBRY
Chemical Name:
4,4-Diallyl-2-hydroxyisoquinoline-1,3(2H,4H)-dione
CAS Number:
53204-51-6
IUPAC Name:
2-hydroxy-4,4-bis(prop-2-enyl)isoquinoline-1,3-dione
InChI:
InChI=1S/C15H15NO3/c1-3-9-15(10-4-2)12-8-6-5-7-11(12)13(17)16(19)14(15)18/h3-8,19H,1-2,9-10H2
InChI Key:
IRHPYNGDOIYGCY-UHFFFAOYSA-N
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.289g/mol
Monoisotopic Mass:
257.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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