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76746-94-6 | 7-Methoxyisoquinoline-1,3(2H,4H)-dione
CAS No: 76746-94-6 Catalog No: AG008PDX MDL No:MFCD00600569
Product Description
Catalog Number:
AG008PDX
Chemical Name:
7-Methoxyisoquinoline-1,3(2H,4H)-dione
CAS Number:
76746-94-6
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD00600569
IUPAC Name:
7-methoxy-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C10H9NO3/c1-14-7-3-2-6-4-9(12)11-10(13)8(6)5-7/h2-3,5H,4H2,1H3,(H,11,12,13)
InChI Key:
AIDXWJHKQIWYKP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=O)NC(=O)C2
Properties
Complexity:
264
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:
1
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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