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1167056-87-2 | 1(2H)-Isoquinolinone, 3,4-dihydro-7,8-dimethoxy-
CAS No: 1167056-87-2 Catalog No: AG000D4K MDL No:
Product Description
Catalog Number:
AG000D4K
Chemical Name:
1(2H)-Isoquinolinone, 3,4-dihydro-7,8-dimethoxy-
CAS Number:
1167056-87-2
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
IUPAC Name:
7,8-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C11H13NO3/c1-14-8-4-3-7-5-6-12-11(13)9(7)10(8)15-2/h3-4H,5-6H2,1-2H3,(H,12,13)
InChI Key:
MHSCMDMJLDTYPC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1OC)C(=O)NCC2
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:
1.2
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