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21763-07-5 | 6,7-DIMETHOXY-1,4-DIHYDRO-3(2H)-ISOQUINOLINONE
CAS No: 21763-07-5 Catalog No: AG006ZF3 MDL No:MFCD00183629
Product Description
Catalog Number:
AG006ZF3
Chemical Name:
6,7-DIMETHOXY-1,4-DIHYDRO-3(2H)-ISOQUINOLINONE
CAS Number:
21763-07-5
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD00183629
IUPAC Name:
6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one
InChI:
InChI=1S/C11H13NO3/c1-14-9-3-7-5-11(13)12-6-8(7)4-10(9)15-2/h3-4H,5-6H2,1-2H3,(H,12,13)
InChI Key:
FRBTVJSVXIIDIG-UHFFFAOYSA-N
SMILES:
COc1cc2CC(=O)NCc2cc1OC
NSC Number:
218395
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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