1(2H)-Isoquinolinone, 3,4-dihydro-7-methoxy-


Chemical Name: 1(2H)-Isoquinolinone, 3,4-dihydro-7-methoxy-
CAS Number: 22246-04-4
Product Number: AG00BCV8(AGN-PC-00MWNQ)
Synonyms:
MDL No:
Molecular Formula: C10H11NO2
Molecular Weight: 177.1998

Identification/Properties


Properties
MP:
112-114℃(Solv: chloroform (67-66-3); ethyl ether (60-29-7))
BP:
435.789 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
177.203g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
177.079g/mol
Monoisotopic Mass:
177.079g/mol
Topological Polar Surface Area:
38.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
205
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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