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1529220-83-4 | 7-ETHOXY-1,2-DIHYDROISOQUINOLIN-1-ONE
CAS No: 1529220-83-4 Catalog No: AG01BJ4V MDL No:MFCD24257901
Product Description
Catalog Number:
AG01BJ4V
Chemical Name:
7-ETHOXY-1,2-DIHYDROISOQUINOLIN-1-ONE
CAS Number:
1529220-83-4
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD24257901
IUPAC Name:
7-ethoxy-2H-isoquinolin-1-one
InChI:
InChI=1S/C11H11NO2/c1-2-14-9-4-3-8-5-6-12-11(13)10(8)7-9/h3-7H,2H2,1H3,(H,12,13)
InChI Key:
IFYQRRZXSHKTRF-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)c(=O)[nH]cc2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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