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105121-99-1 | 2-Acetyl-2,3-dihydroisoquinolin-4(1H)-one
CAS No: 105121-99-1 Catalog No: AG007FNE MDL No:
Product Description
Catalog Number:
AG007FNE
Chemical Name:
2-Acetyl-2,3-dihydroisoquinolin-4(1H)-one
CAS Number:
105121-99-1
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
2-acetyl-1,3-dihydroisoquinolin-4-one
InChI:
InChI=1S/C11H11NO2/c1-8(13)12-6-9-4-2-3-5-10(9)11(14)7-12/h2-5H,6-7H2,1H3
InChI Key:
CDKXSKBINIAMGR-UHFFFAOYSA-N
SMILES:
CC(=O)N1CC(=O)c2c(C1)cccc2
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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