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129075-49-6 | 1(2H)-Isoquinolinone, 3,4-dihydro-5-methoxy-
CAS No: 129075-49-6 Catalog No: AG000YT9 MDL No:MFCD07196047
Product Description
Catalog Number:
AG000YT9
Chemical Name:
1(2H)-Isoquinolinone, 3,4-dihydro-5-methoxy-
CAS Number:
129075-49-6
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD07196047
IUPAC Name:
5-methoxy-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C10H11NO2/c1-13-9-4-2-3-8-7(9)5-6-11-10(8)12/h2-4H,5-6H2,1H3,(H,11,12)
InChI Key:
OESOLVOZJGIVMY-UHFFFAOYSA-N
SMILES:
COc1cccc2c1CCNC2=O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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