1H-Isoindole, 2,3-dihydro-5-methoxy-


Chemical Name: 1H-Isoindole, 2,3-dihydro-5-methoxy-
CAS Number: 127168-88-1
Product Number: AG000WQ9(AGN-PC-002KUP)
Synonyms:
MDL No:
Molecular Formula: C9H11NO
Molecular Weight: 149.1897

Identification/Properties


Computed Properties
Molecular Weight:
149.193g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
149.084g/mol
Monoisotopic Mass:
149.084g/mol
Topological Polar Surface Area:
21.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
138
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:
Danger
UN#:
1760
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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