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119952-25-9 | 1(2H)-Isoquinolinone, 3,4-dihydro-2-methyl-4-methylene-
CAS No: 119952-25-9 Catalog No: AG000PW3 MDL No:
Product Description
Catalog Number:
AG000PW3
Chemical Name:
1(2H)-Isoquinolinone, 3,4-dihydro-2-methyl-4-methylene-
CAS Number:
119952-25-9
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
IUPAC Name:
2-methyl-4-methylidene-3H-isoquinolin-1-one
InChI:
InChI=1S/C11H11NO/c1-8-7-12(2)11(13)10-6-4-3-5-9(8)10/h3-6H,1,7H2,2H3
InChI Key:
LFCWWJOSUKHCTQ-UHFFFAOYSA-N
SMILES:
CN1CC(=C)c2c(C1=O)cccc2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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