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69454-43-9 | 3-(pyrrolidine-1-carbonyl)-1,2-dihydroisoquinolin-1-one
CAS No: 69454-43-9 Catalog No: AG01BGT0 MDL No:MFCD10661945
Product Description
Catalog Number:
AG01BGT0
Chemical Name:
3-(pyrrolidine-1-carbonyl)-1,2-dihydroisoquinolin-1-one
CAS Number:
69454-43-9
MDL Number:
MFCD10661945
IUPAC Name:
3-(pyrrolidine-1-carbonyl)-2H-isoquinolin-1-one
InChI:
InChI=1S/C14H14N2O2/c17-13-11-6-2-1-5-10(11)9-12(15-13)14(18)16-7-3-4-8-16/h1-2,5-6,9H,3-4,7-8H2,(H,15,17)
InChI Key:
JVHSQLGAGPPKAW-UHFFFAOYSA-N
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.278g/mol
Monoisotopic Mass:
242.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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