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122670-03-5 | 3(2H)-Isoquinolinone,6,7-dihydroxy-1-methyl-(9CI)
CAS No: 122670-03-5 Catalog No: AG00AHJW MDL No:
Product Description
Catalog Number:
AG00AHJW
Chemical Name:
3(2H)-Isoquinolinone,6,7-dihydroxy-1-methyl-(9CI)
CAS Number:
122670-03-5
IUPAC Name:
6,7-dihydroxy-1-methyl-2H-isoquinolin-3-one
InChI:
InChI=1S/C10H9NO3/c1-5-7-4-9(13)8(12)2-6(7)3-10(14)11-5/h2-4,12-13H,1H3,(H,11,14)
InChI Key:
PHSSRIPWMGJIJI-UHFFFAOYSA-N
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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