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24011-03-8 | 5,8-Isoquinolinedione,3-methyl-
CAS No: 24011-03-8 Catalog No: AG006XNC MDL No:
Product Description
Catalog Number:
AG006XNC
Chemical Name:
5,8-Isoquinolinedione,3-methyl-
CAS Number:
24011-03-8
Molecular Formula:
C10H7NO2
Molecular Weight:
173.1681
IUPAC Name:
3-methylisoquinoline-5,8-dione
InChI:
InChI=1S/C10H7NO2/c1-6-4-7-8(5-11-6)10(13)3-2-9(7)12/h2-5H,1H3
InChI Key:
OUIOBPQZZYKMFY-UHFFFAOYSA-N
SMILES:
Cc1ncc2c(c1)C(=O)C=CC2=O
NSC Number:
101614
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.171g/mol
Monoisotopic Mass:
173.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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