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7114-78-5 | 1(2H)-Isoquinolinone,2,3-dimethyl-
CAS No: 7114-78-5 Catalog No: AG006BIL MDL No:
Product Description
Catalog Number:
AG006BIL
Chemical Name:
1(2H)-Isoquinolinone,2,3-dimethyl-
CAS Number:
7114-78-5
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
IUPAC Name:
2,3-dimethylisoquinolin-1-one
InChI:
InChI=1S/C11H11NO/c1-8-7-9-5-3-4-6-10(9)11(13)12(8)2/h3-7H,1-2H3
InChI Key:
KYCQKTHRLPJHOO-UHFFFAOYSA-N
SMILES:
Cn1c(C)cc2c(c1=O)cccc2
Properties
Complexity:
257
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:
1.9
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